CID 14563235

Pyridine-3-sulfinic acid hydrochloride

Structural Information

Molecular Formula
C5H5NO2S
SMILES
C1=CC(=CN=C1)S(=O)O
InChI
InChI=1S/C5H5NO2S/c7-9(8)5-2-1-3-6-4-5/h1-4H,(H,7,8)
InChIKey
PLHRLQRACPEUSE-UHFFFAOYSA-N
Compound name
pyridine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

143.0041 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 123.3
[M+Na]+ 165.99332 132.2
[M-H]- 141.99682 124.9
[M+NH4]+ 161.03792 143.2
[M+K]+ 181.96726 130.0
[M+H-H2O]+ 126.00136 117.7
[M+HCOO]- 188.00230 140.8
[M+CH3COO]- 202.01795 167.2
[M+Na-2H]- 163.97877 128.5
[M]+ 143.00355 124.1
[M]- 143.00465 124.1
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

patents stripe