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Back ChemicalBook Home>CAS DataBase List>23165-29-9More Spectrum> 3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-29-9) IR1

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-29-9) IR1

Product Name3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

CAS23165-29-9

Molecular FormulaC9H3F6NS

Molecular Weight271.18

InChIInChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H

InChIKey FXOSSGVJGGNASE-UHFFFAOYSA-N

SmilesC1(N=C=S)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

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MS

IR1


  • Mass 

    MS2001-00812WA      
isothiocyanic acid 3,5-bis(trifluoromethyl)phenyl ester
C9H3F6NS            (Mass of molecular ion:    271)


       Source Temperature: 300 °C
   Sample Temperature: 260 °C
   Reservoir, 70 eV


          69.0       4.5
      70.0       1.8
      74.0       1.5
      75.0       3.8
      88.0       1.1
      99.0       1.7
     125.0       1.5
     126.0       1.3
     139.0       1.2
     143.0       5.0
     144.0       4.7
     157.0       1.2
     158.0       1.0
     163.0      10.2
     170.0       2.2
     182.0       1.6
     188.0       1.1
     193.0       1.7
     194.0       3.1
     202.0       9.0
     207.0       1.6
     213.0      25.5
     214.0       2.2
     220.0       1.9
     221.0       5.6
     227.0       1.2
     229.0       1.3
     236.0       1.3
     252.0      20.2
     253.0       2.2
     254.0       1.1
     255.0       4.1
     270.0       3.0
     271.0     100.0
     272.0      10.6
     273.0       4.9

Liquid film



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