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194853-86-6

4-Fluoro-2-trifluoromethylbenzonitrile

Product Name 4-Fluoro-2-trifluoromethylbenzonitrile

CAS194853-86-6

MFC8H3F4N

MW189.11

More

  • 194853-86-6_ms_1
    Mass

    MS-IW-3616          
    4-fluoro-2-(trifluoromethyl)benzonitrile
    C8H3F4N             (Mass of molecular ion:    189)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          31.0       2.7
          37.0       1.1
          50.0       2.9
          51.0       1.2
          57.0       1.6
          61.0       1.3
          62.0       1.5
          63.0       1.3
          68.0       2.3
          69.0      10.1
          74.0       2.1
          75.0       6.7
          76.0       1.5
          85.0       1.9
          87.0       1.0
          88.0       2.5
          93.0       4.9
          94.0       2.5
          94.5       1.3
          99.0       3.2
         100.0       7.2
         112.0       2.4
         113.0       1.2
         119.0       1.9
         120.0       6.0
         139.0      38.4
         140.0       3.1
         143.0       2.9
         144.0       8.3
         150.0       1.5
         162.0       1.9
         163.0       3.2
         169.0       2.2
         170.0      41.2
         171.0       3.8
         188.0      11.4
         189.0     100.0
         190.0       9.1
    

400 MHz in CDCl3

  • cb3137275_1hnmr_0

    1H NMR 399.65 MHz
    C8 H3 F4 N 0.045 g : 0.5 ml CDCl3
    4-fluoro-2-(trifluoromethyl)benzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.902 B 7.535 C 7.423

         Hz     ppm     Int.
    

       3165.16   7.920    685
       3164.79   7.919    693
       3159.79   7.907    724
       3156.25   7.898    772
       3151.49   7.886    745
       3151.12   7.885    752
       3016.97   7.550    924
       3014.40   7.543   1000
       3008.67   7.529    929
       3006.10   7.522    999
       2976.07   7.447    535
       2975.59   7.446    544
       2973.51   7.441    483
       2973.02   7.440    477
       2968.63   7.429    621
       2968.02   7.427    763
       2967.53   7.426    769
       2966.92   7.424    674
       2966.06   7.422    643
       2965.45   7.421    700
       2964.97   7.419    660
       2959.96   7.407    496
       2959.47   7.406    501
       2957.40   7.400    440
       2956.91   7.399    428
    

in CDCl3

  • cb3137275_13cnmr_0

KBr disc

  • 194853-86-6_ir1_2

nujol mull

  • 194853-86-6_ir2_1