CID 3707521

683812-80-8

Structural Information

Molecular Formula

C₆H₆ClNO₂S

SMILES

C1=CC=NC(=C1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H6ClNO2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2

InChIKey

AJMQRUCRBKMIKB-UHFFFAOYSA-N

Compound name

pyridin-2-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 190.98077 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]+	191.988046	133.2
[M+Na]+	213.969988	143.6
[M-H]-	189.973494	136.2
[M+NH4]+	209.014593	152.9
[M+K]+	229.943928	139.7
[M+H-H2O]+	173.978030	128.3
[M+HCOO]-	235.978971	146.9
[M+CH3COO]-	249.994621	175.3
[M+Na-2H]-	211.955436	139.7
[M]+	190.98022142	137.3
[M]-	190.98131858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe