CID 435496

Ethanesulfinic acid

Structural Information

Molecular Formula
C2H6O2S
SMILES
CCS(=O)O
InChI
InChI=1S/C2H6O2S/c1-2-5(3)4/h2H2,1H3,(H,3,4)
InChIKey
RQIFXTOWUNAUJC-UHFFFAOYSA-N
Compound name
ethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2073
Patents

94.00885 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.016126 113.3
[M+Na]+ 116.99807 121.7
[M-H]- 93.001574 113.0
[M+NH4]+ 112.04267 136.6
[M+K]+ 132.97201 121.2
[M+H-H2O]+ 77.006110 109.4
[M+HCOO]- 139.00705 130.9
[M+CH3COO]- 153.02270 160.3
[M+Na-2H]- 114.98352 117.1
[M]+ 94.008301 114.7
[M]- 94.009399 114.7
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