2-Chlorobenzotrifluoride(88-16-4) ¹³C NMR

Product Name2-Chlorobenzotrifluoride

CAS 88-16-4

Molecular FormulaC7H4ClF3

Molecular Weight180.55

InChIInChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey DGRVQOKCSKDWIH-UHFFFAOYSA-N

SmilesC1(Cl)=CC=CC=C1C(F)(F)F

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Mass

MS-NW-4849          
o-chloro-alpha,alpha,alpha-trifluorotoluene
C7H4ClF3            (Mass of molecular ion:    180)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      31.0       1.8
      37.0       1.9
      38.0       1.9
      39.0       1.9
      49.0       1.3
      50.0       9.0
      51.0       4.0
      57.0       1.7
      62.0       1.7
      63.0       1.7
      69.0       5.0
      72.0       1.5
      73.0       1.8
      74.0       5.6
      75.0      16.1
      76.0       3.3
      80.0       2.1
      80.5       1.3
      81.0       1.4
      85.0       1.7
      94.0       1.5
      95.0       8.8
      99.0       2.7
     111.0       3.8
     113.0       1.3
     119.0       1.6
     125.0       6.9
     126.0       2.7
     130.0      17.2
     131.0       1.4
     132.0       5.9
     143.0       1.3
     144.0       1.6
     145.0      55.1
     146.0       4.7
     161.0      24.0
     162.0       2.3
     163.0       8.2
     179.0       4.3
     180.0     100.0
     181.0       9.3
     182.0      32.0
     183.0       2.7