CID 55279132

1261658-61-0

Structural Information

Molecular Formula

C₅H₃Cl₂NO₃S

SMILES

C1=C(C(=O)NC=C1Cl)S(=O)(=O)Cl

InChI

InChI=1S/C5H3Cl2NO3S/c6-3-1-4(12(7,10)11)5(9)8-2-3/h1-2H,(H,8,9)

InChIKey

HJLCGMYCSWAHRK-UHFFFAOYSA-N

Compound name

5-chloro-2-oxo-1H-pyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.92107 Da
Monoisotopic Mass: 0.8
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]+	227.92835	135.7
[M+Na]+	249.91029	147.9
[M-H]-	225.91379	137.7
[M+NH4]+	244.95489	154.0
[M+K]+	265.88423	142.1
[M+H-H2O]+	209.91833	132.5
[M+HCOO]-	271.91927	143.5
[M+CH3COO]-	285.93492	178.1
[M+Na-2H]-	247.89574	140.4
[M]+	226.92052	139.9
[M]-	226.92162	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe