CID 55280642

1116135-36-4

Structural Information

Molecular Formula

C₉H₆ClNO₃S

SMILES

C1=CC(=CC2=C1C=CC(=O)N2)S(=O)(=O)Cl

InChI

InChI=1S/C9H6ClNO3S/c10-15(13,14)7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)

InChIKey

XQXOYFQFUHJRNH-UHFFFAOYSA-N

Compound name

2-oxo-1H-quinoline-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 242.9757 Da
Monoisotopic Mass: 1.3
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]+	243.98298	146.9
[M+Na]+	265.96492	161.3
[M+NH4]+	261.00952	155.0
[M+K]+	281.93886	153.1
[M-H]-	241.96842	147.5
[M+Na-2H]-	263.95037	153.1
[M]+	242.97515	149.9
[M]-	242.97625	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe