CID 4962209

66657-42-9

Structural Information

Molecular Formula

C₉H₈ClNO₃S

SMILES

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C9H8ClNO3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)

InChIKey

ICRHXBNAKSHNRD-UHFFFAOYSA-N

Compound name

2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 244.99135 Da
Monoisotopic Mass: 1.1
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]+	245.99863	148.0
[M+Na]+	267.98057	160.6
[M+NH4]+	263.02517	156.0
[M+K]+	283.95451	152.9
[M-H]-	243.98407	148.3
[M+Na-2H]-	265.96602	152.6
[M]+	244.99080	150.5
[M]-	244.99190	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe