CID 54594174

6-chloro-5-methylpyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₅Cl₂NO₂S

SMILES

CC1=CC(=CN=C1Cl)S(=O)(=O)Cl

InChI

InChI=1S/C6H5Cl2NO2S/c1-4-2-5(12(8,10)11)3-9-6(4)7/h2-3H,1H3

InChIKey

SMRVMBZCJFWJFF-UHFFFAOYSA-N

Compound name

6-chloro-5-methylpyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 224.9418 Da
Monoisotopic Mass: 2.2
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	144.0
[M+Na]+	247.93102	158.4
[M+NH4]+	242.97562	152.4
[M+K]+	263.90496	150.0
[M-H]-	223.93452	144.7
[M+Na-2H]-	245.91647	150.1
[M]+	224.94125	147.3
[M]-	224.94235	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe