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

90
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

literature stripe

Patent stripe

patents stripe