CID 79000

Trifluoromethanesulfonyl chloride

Structural Information

Molecular Formula
CClF3O2S
SMILES
C(F)(F)(F)S(=O)(=O)Cl
InChI
InChI=1S/CClF3O2S/c2-8(6,7)1(3,4)5
InChIKey
GRGCWBWNLSTIEN-UHFFFAOYSA-N
Compound name
trifluoromethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

12185
Patents

167.92596 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.933236 118.1
[M+Na]+ 190.915178 129.2
[M-H]- 166.918684 115.9
[M+NH4]+ 185.959783 140.0
[M+K]+ 206.889118 126.5
[M+H-H2O]+ 150.923220 113.3
[M+HCOO]- 212.924161 128.3
[M+CH3COO]- 226.939811 170.5
[M+Na-2H]- 188.900626 123.7
[M]+ 167.92541142 118.0
[M]- 167.92650858 118.0
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