CID 19378712

2,6-dichloropyridine-3-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₂Cl₃NO₂S

SMILES

C1=CC(=NC(=C1S(=O)(=O)Cl)Cl)Cl

InChI

InChI=1S/C5H2Cl3NO2S/c6-4-2-1-3(5(7)9-4)12(8,10)11/h1-2H

InChIKey

OCZHXCDELJNNNS-UHFFFAOYSA-N

Compound name

2,6-dichloropyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 244.88718 Da
Monoisotopic Mass: 2.8
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]+	245.89446	139.0
[M+Na]+	267.87640	151.0
[M-H]-	243.87990	141.2
[M+NH4]+	262.92100	157.2
[M+K]+	283.85034	145.7
[M+H-H2O]+	227.88444	136.0
[M+HCOO]-	289.88538	142.4
[M+CH3COO]-	303.90103	185.0
[M+Na-2H]-	265.86185	142.9
[M]+	244.88663	143.9
[M]-	244.88773	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe