CID 53414652

569340-07-4

Structural Information

Molecular Formula

C₉H₆ClNO₃S

SMILES

C1=CC2=C(C=CC(=O)N2)C=C1S(=O)(=O)Cl

InChI

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

InChIKey

YEYHIOACCQXLCJ-UHFFFAOYSA-N

Compound name

2-oxo-1H-quinoline-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
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	144.3
[M+Na]+	265.96492	156.3
[M-H]-	241.96842	147.3
[M+NH4]+	261.00952	162.6
[M+K]+	281.93886	150.4
[M+H-H2O]+	225.97296	139.8
[M+HCOO]-	287.97390	155.9
[M+CH3COO]-	301.98955	182.9
[M+Na-2H]-	263.95037	151.4
[M]+	242.97515	148.4
[M]-	242.97625	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe