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]+ 221.962236 137.4
[M+Na]+ 243.944178 147.7
[M-H]- 219.947684 139.5
[M+NH4]+ 238.988783 155.1
[M+K]+ 259.918118 143.9
[M+H-H2O]+ 203.952220 132.9
[M+HCOO]- 265.953161 149.2
[M+CH3COO]- 279.968811 178.0
[M+Na-2H]- 241.929626 142.2
[M]+ 220.95441142 141.7
[M]- 220.95550858 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.