CID 118426

33263-43-3

Structural Information

Molecular Formula

C₅H₅ClN₂O₂S

SMILES

C1=CN=CC(=C1Cl)S(=O)(=O)N

InChI

InChI=1S/C5H5ClN2O2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H,(H2,7,9,10)

InChIKey

DGIINIBYHCODIH-UHFFFAOYSA-N

Compound name

4-chloropyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 191.97603 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.98331	133.3
[M+Na]+	214.96525	144.0
[M-H]-	190.96875	136.2
[M+NH4]+	210.00985	152.6
[M+K]+	230.93919	139.8
[M+H-H2O]+	174.97329	128.5
[M+HCOO]-	236.97423	147.6
[M+CH3COO]-	250.98988	177.6
[M+Na-2H]-	212.95070	139.1
[M]+	191.97548	135.7
[M]-	191.97658	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe