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-chloro-3-pyridinyl)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]+	225.949076	137.9
[M+Na]+	247.931018	149.2
[M-H]-	223.934524	140.8
[M+NH4]+	242.975623	156.9
[M+K]+	263.904958	144.2
[M+H-H2O]+	207.939060	134.0
[M+HCOO]-	269.940001	146.5
[M+CH3COO]-	283.955651	181.2
[M+Na-2H]-	245.916466	143.1
[M]+	224.94125142	143.2
[M]-	224.94234858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe