CID 102544213

1355205-07-0

Structural Information

Molecular Formula
C5H4ClNO4S
SMILES
C1=C(C(=O)C(=CN1)Cl)S(=O)(=O)O
InChI
InChI=1S/C5H4ClNO4S/c6-3-1-7-2-4(5(3)8)12(9,10)11/h1-2H,(H,7,8)(H,9,10,11)
InChIKey
ZLVKWSLNEDFCNA-UHFFFAOYSA-N
Compound name
5-chloro-4-oxo-1H-pyridine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.95496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.96224 134.1
[M+Na]+ 231.94418 145.5
[M-H]- 207.94768 135.1
[M+NH4]+ 226.98878 151.9
[M+K]+ 247.91812 140.5
[M+H-H2O]+ 191.95222 130.2
[M+HCOO]- 253.95316 145.6
[M+CH3COO]- 267.96881 173.0
[M+Na-2H]- 229.92963 139.2
[M]+ 208.95441 137.0
[M]- 208.95551 137.0
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

No patent data available for this compound.