CID 9526

Methyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C2H3F3O3S
SMILES
COS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3
InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
Compound name
methyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

107
References

13612
Patents

163.9755 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.98278 136.4
[M+Na]+ 186.96472 142.7
[M+NH4]+ 182.00932 141.0
[M+K]+ 202.93866 138.5
[M-H]- 162.96822 129.6
[M+Na-2H]- 184.95017 136.8
[M]+ 163.97495 135.4
[M]- 163.97605 135.4
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