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 141.6
[M+Na]+ 243.94418 153.3
[M+NH4]+ 238.98878 148.1
[M+K]+ 259.91812 147.6
[M-H]- 219.94768 140.3
[M+Na-2H]- 241.92963 146.3
[M]+ 220.95441 143.4
[M]- 220.95551 143.4
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.