3-(Trifluoromethyl)benzylamine(2740-83-2) MS

Product Name3-(Trifluoromethyl)benzylamine

CAS 2740-83-2

Molecular FormulaC8H8F3N

Molecular Weight175.15

InChIInChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2

InChIKey YKNZTUQUXUXTLE-UHFFFAOYSA-N

SmilesC1(CN)=CC=CC(C(F)(F)F)=C1

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Mass

MS-NW-7565          
m-(trifluoromethyl)benzylamine
C8H8F3N             (Mass of molecular ion:    175)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.7
      27.0       1.8
      28.0      47.8
      29.0      31.6
      30.0      98.6
      31.0       1.4
      38.0       1.9
      39.0       4.0
      41.0       1.0
      50.0       6.7
      51.0       7.5
      52.0       2.5
      52.5       1.1
      54.0       1.1
      57.0       2.2
      61.0       1.0
      62.0       3.1
      63.0       4.1
      69.0       3.5
      74.0       3.0
      75.0       7.0
      76.0       3.0
      77.0       8.2
      77.5       3.5
      78.0       3.6
      79.0       4.9
      81.0       1.1
      83.0       1.8
      87.0       1.2
      88.0       1.1
      89.0       2.8
      95.0       4.8
      96.0       2.6
      99.0       2.0
     101.0       1.4
     104.0       3.2
     105.0       1.5
     106.0      49.0
     107.0       6.5
     108.0       1.5
     109.0       7.6
     113.0       1.0
     114.0       1.0
     119.0       4.2
     125.0       3.8
     126.0       2.4
     127.0      31.8
     128.0       3.2
     134.0       2.6
     136.0       2.5
     138.0       1.7
     139.0       1.5
     140.0       1.0
     145.0       8.8
     146.0       2.9
     154.0       5.8
     155.0       1.6
     156.0      13.2
     157.0       2.0
     158.0       2.0
     159.0      18.6
     160.0       3.2
     172.0       6.5
     173.0       1.7
     174.0     100.0
     175.0      53.9
     176.0       4.9
     330.0       1.2
     331.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ F₃ N	0.05 ml : 0.5 ml CDCl₃
m-(trifluoromethyl)benzylamine

    Assign.     Shift(ppm)

      A             7.595
      B             7.49
      C             7.428
      D             3.914
      E             1.59

     Hz     ppm     Int.

   3035.77   7.597    297
   3035.16   7.595    331
   3034.55   7.594    307
   2998.41   7.503    227
   2997.80   7.502    224
   2997.19   7.500    213
   2990.23   7.483    406
   2973.88   7.442    254
   2966.43   7.423    194
   2958.62   7.404     88
   1564.45   3.915   1000
    634.16   1.587    619

in CDCl3