CID 9000

Hydroxymethanesulfinic acid

Structural Information

Molecular Formula
CH4O3S
SMILES
C(O)S(=O)O
InChI
InChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)
InChIKey
SBGKURINHGJRFN-UHFFFAOYSA-N
Compound name
hydroxymethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

56856
Patents

95.98811 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.995386 112.7
[M+Na]+ 118.97733 120.9
[M-H]- 94.980834 111.1
[M+NH4]+ 114.02193 135.1
[M+K]+ 134.95127 120.1
[M+H-H2O]+ 78.985370 108.9
[M+HCOO]- 140.98631 129.4
[M+CH3COO]- 155.00196 156.6
[M+Na-2H]- 116.96278 116.5
[M]+ 95.987561 113.3
[M]- 95.988659 113.3
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