CID 6422223

4-chloropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₃Cl₂NO₂S

SMILES

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

InChI

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

InChIKey

KCNWYJPUGJYMNO-UHFFFAOYSA-N

Compound name

4-chloropyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 177
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]+	211.933426	133.4
[M+Na]+	233.915368	145.2
[M-H]-	209.918874	136.5
[M+NH4]+	228.959973	152.9
[M+K]+	249.889308	140.4
[M+H-H2O]+	193.923410	129.7
[M+HCOO]-	255.924351	142.3
[M+CH3COO]-	269.940001	178.3
[M+Na-2H]-	231.900816	139.1
[M]+	210.92560142	138.4
[M]-	210.92669858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe