CID 55280170

2-(chlorosulfonyl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H4ClNO4S
SMILES
C1=CN=C(C=C1C(=O)O)S(=O)(=O)Cl
InChI
InChI=1S/C6H4ClNO4S/c7-13(11,12)5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey
FFFSCIPJGYLENK-UHFFFAOYSA-N
Compound name
2-chlorosulfonylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.95496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96224 137.4
[M+Na]+ 243.94418 147.7
[M-H]- 219.94768 139.5
[M+NH4]+ 238.98878 155.1
[M+K]+ 259.91812 143.9
[M+H-H2O]+ 203.95222 132.9
[M+HCOO]- 265.95316 149.2
[M+CH3COO]- 279.96881 178.0
[M+Na-2H]- 241.92963 142.2
[M]+ 220.95441 141.7
[M]- 220.95551 141.7
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.