54187-96-1

1-(Chloromethyl)-1H-benzotriazole(54187-96-1) MS

Product Name1-(Chloromethyl)-1H-benzotriazole

CAS 54187-96-1

Molecular FormulaC7H6ClN3

Molecular Weight167.6

InChIInChI=1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2

InChIKey VSEROABGEVRIRY-UHFFFAOYSA-N

SmilesN1(CCl)C2=CC=CC=C2N=N1

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1-(Chloromethyl)-1H-benzotriazole(54187-96-1) MS
Mass

MS2016-05372CM      
1-chloromethyl-1H-benzotriazole 
C7H6ClN3            (Mass of molecular ion:    167)

   Source Temperature: 245 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      18.0       2.6
      27.0       1.5
      28.0       1.6
      37.0       2.8
      38.0       4.3
      39.0       5.4
      49.0      15.2
      50.0      12.0
      51.0      16.0
      52.0       6.6
      61.0       1.6
      62.0       2.6
      63.0       9.2
      64.0       5.1
      65.0       1.5
      73.0       1.4
      74.0       5.5
      75.0       6.6
      76.0       9.7
      77.0      89.6
      78.0       9.8
      90.0      10.6
      91.0       1.3
     102.0       3.6
     103.0       4.0
     104.0      66.8
     105.0       5.4
     111.0       6.5
     112.0       3.7
     113.0       2.4
     114.0       1.2
     132.0     100.0
     133.0       8.5
     138.0      10.6
     139.0       1.1
     140.0       3.5
     167.0      31.9
     168.0       3.3
     169.0      10.3
     170.0       1.1

in DMSO-d6