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网站主页CAS数据库列表 112704-79-7更多图谱4-溴-2-氟苯甲酸(112704-79-7)质谱(MS)

4-溴-2-氟苯甲酸

产品名称 4-溴-2-氟苯甲酸

CAS号112704-79-7

分子式C7H4BrFO2

分子量219.01

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  • Mass

    MS-KW-0077          
    4-bromo-2-fluorobenzoic acid
    C7H4BrFO2           (Mass of molecular ion:    218)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          17.0       1.1
          18.0       5.2
          28.0       1.6
          31.0       2.1
          37.0       3.2
          38.0       2.3
          39.0       1.3
          44.0       1.4
          45.0       3.9
          47.0       5.3
          49.0       1.5
          50.0      11.4
          51.0       3.7
          53.0       1.1
          56.0       1.3
          57.0       3.8
          61.0       9.4
          62.0       3.8
          63.0       4.6
          68.0      10.0
          69.0       2.6
          73.0       3.0
          74.0      13.1
          75.0      13.9
          76.0       1.0
          81.0       1.1
          82.0       1.3
          83.0       6.2
          86.0       1.0
          92.0       4.2
          93.0      10.8
          94.0      35.9
          95.0      14.4
          96.0       6.5
         100.5       3.5
         101.5       3.4
         121.0       1.2
         122.0       2.4
         154.0       1.2
         156.0       1.2
         172.0       1.3
         173.0      22.4
         174.0       2.6
         175.0      21.2
         176.0       1.9
         190.0       1.5
         192.0       1.4
         199.0       2.3
         200.0       3.1
         201.0      96.0
         202.0       9.9
         203.0      91.5
         204.0       7.1
         218.0     100.0
         219.0       8.0
         220.0      97.5
         221.0       7.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H4 Br F O2 0.039 g : 0.5 ml DMSO-d6
    4-bromo-2-fluorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.5 B 7.832 C 7.688 D 7.547

         Hz     ppm     Int.
    

       3138.59   7.854    508
       3130.47   7.834   1000
       3122.14   7.813    582
       3083.89   7.717     26
       3078.76   7.704    611
       3077.05   7.700    623
       3068.29   7.678    607
       3066.58   7.674    636
       3062.52   7.664     26
       3021.07   7.560    583
       3019.14   7.555    576
       3012.73   7.539    503
       3010.81   7.534    517
    

in DMSO-d6



KBr disk



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