CID 6395

Methanesulfonic acid

Structural Information

Molecular Formula
CH4O3S
SMILES
CS(=O)(=O)O
InChI
InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKey
AFVFQIVMOAPDHO-UHFFFAOYSA-N
Compound name
methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2246
References

231309
Patents

95.98811 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.995386 111.7
[M+Na]+ 118.97733 121.3
[M-H]- 94.980834 111.8
[M+NH4]+ 114.02193 135.0
[M+K]+ 134.95127 120.8
[M+H-H2O]+ 78.985370 108.4
[M+HCOO]- 140.98631 129.6
[M+CH3COO]- 155.00196 157.8
[M+Na-2H]- 116.96278 117.8
[M]+ 95.987561 113.7
[M]- 95.988659 113.7
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.