CID 87251

Methanesulfinic acid

Structural Information

Molecular Formula
CH4O2S
SMILES
CS(=O)O
InChI
InChI=1S/CH4O2S/c1-4(2)3/h1H3,(H,2,3)
InChIKey
XNEFVTBPCXGIRX-UHFFFAOYSA-N
Compound name
methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

137
References

18103
Patents

79.9932 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.000476 108.8
[M+Na]+ 102.98242 117.5
[M-H]- 78.985924 108.7
[M+NH4]+ 98.027023 132.6
[M+K]+ 118.95636 117.4
[M+H-H2O]+ 62.990460 105.1
[M+HCOO]- 124.99140 126.7
[M+CH3COO]- 139.00705 157.2
[M+Na-2H]- 100.96787 113.0
[M]+ 79.992651 109.8
[M]- 79.993749 109.8
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.