CID 43455424

(6-chloropyridin-3-yl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₆H₅Cl₂NO₂S

SMILES

C1=CC(=NC=C1CS(=O)(=O)Cl)Cl

InChI

InChI=1S/C6H5Cl2NO2S/c7-6-2-1-5(3-9-6)4-12(8,10)11/h1-3H,4H2

InChIKey

PHGINWFLGGHDGG-UHFFFAOYSA-N

Compound name

(6-chloropyridin-3-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 224.9418 Da
Monoisotopic Mass: 1.8
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]+	225.94908	143.7
[M+Na]+	247.93102	157.8
[M+NH4]+	242.97562	152.2
[M+K]+	263.90496	149.1
[M-H]-	223.93452	144.3
[M+Na-2H]-	245.91647	150.1
[M]+	224.94125	147.0
[M]-	224.94235	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe