CID 3164136

Pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₄ClNO₂S

SMILES

C1=CC(=CN=C1)S(=O)(=O)Cl

InChI

InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H

InChIKey

CDRNYKLYADJTMN-UHFFFAOYSA-N

Compound name

pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3956
Patents: 176.96513 Da
Monoisotopic Mass: 0.9
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]+	177.97241	128.6
[M+Na]+	199.95435	139.5
[M-H]-	175.95785	131.9
[M+NH4]+	194.99895	148.9
[M+K]+	215.92829	135.9
[M+H-H2O]+	159.96239	124.0
[M+HCOO]-	221.96333	142.7
[M+CH3COO]-	235.97898	172.3
[M+Na-2H]-	197.93980	135.6
[M]+	176.96458	132.4
[M]-	176.96568	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe