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

58
Patents

143.0041 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.011376 123.3
[M+Na]+ 165.993318 132.2
[M-H]- 141.996824 124.9
[M+NH4]+ 161.037923 143.2
[M+K]+ 181.967258 130.0
[M+H-H2O]+ 126.001360 117.7
[M+HCOO]- 188.002301 140.8
[M+CH3COO]- 202.017951 167.2
[M+Na-2H]- 163.978766 128.5
[M]+ 143.00355142 124.1
[M]- 143.00464858 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