CID 54594705

5-chloropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₃Cl₂NO₂S

SMILES

C1=C(C=NC=C1Cl)S(=O)(=O)Cl

InChI

InChI=1S/C5H3Cl2NO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H

InChIKey

FQNDXOOGXYFWHZ-UHFFFAOYSA-N

Compound name

5-chloropyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 210.92615 Da
Monoisotopic Mass: 1.5
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]+	211.93343	139.4
[M+Na]+	233.91537	153.6
[M+NH4]+	228.95997	148.0
[M+K]+	249.88931	145.2
[M-H]-	209.91887	140.0
[M+Na-2H]-	231.90082	146.0
[M]+	210.92560	142.7
[M]-	210.92670	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe