CID 118985

36457-58-6

Structural Information

Molecular Formula
C8H8F3NO2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H8F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKey
IJHVVEQTOXFGCL-UHFFFAOYSA-N
Compound name
N-benzyl-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

239.02278 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03006 143.9
[M+Na]+ 262.01200 152.2
[M-H]- 238.01550 143.8
[M+NH4]+ 257.05660 161.5
[M+K]+ 277.98594 148.6
[M+H-H2O]+ 222.02004 135.6
[M+HCOO]- 284.02098 159.0
[M+CH3COO]- 298.03663 187.6
[M+Na-2H]- 259.99745 149.5
[M]+ 239.02223 141.6
[M]- 239.02333 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.