CID 3870744

Methanesulfinate

Structural Information

Molecular Formula
CH3O2S
SMILES
CS(=O)[O-]
InChI
InChI=1S/CH4O2S/c1-4(2)3/h1H3,(H,2,3)/p-1
InChIKey
XNEFVTBPCXGIRX-UHFFFAOYSA-M
Compound name
methanesulfinate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

137
References

18331
Patents

78.985374 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.992650 108.3
[M+Na]+ 101.97459 117.2
[M-H]- 77.978098 108.0
[M+NH4]+ 97.019197 132.2
[M+K]+ 117.94853 118.0
[M+H-H2O]+ 61.982634 106.8
[M+HCOO]- 123.98358 127.3
[M+CH3COO]- 137.99922 156.8
[M+Na-2H]- 99.960040 112.0
[M]+ 78.984825 108.9
[M]- 78.985923 108.9
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