CID 55280760

2375267-39-1

Structural Information

Molecular Formula

C₉H₆ClNO₂S

SMILES

C1=CC2=C(C=C(C=C2)S(=O)(=O)Cl)N=C1

InChI

InChI=1S/C9H6ClNO2S/c10-14(12,13)8-4-3-7-2-1-5-11-9(7)6-8/h1-6H

InChIKey

ZSLBTAMFISNVKS-UHFFFAOYSA-N

Compound name

quinoline-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 226.98077 Da
Monoisotopic Mass: 2.3
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]+	227.988046	141.6
[M+Na]+	249.969988	153.2
[M-H]-	225.973494	145.7
[M+NH4]+	245.014593	161.1
[M+K]+	265.943928	148.2
[M+H-H2O]+	209.978030	136.6
[M+HCOO]-	271.978971	154.4
[M+CH3COO]-	285.994621	183.0
[M+Na-2H]-	247.955436	149.6
[M]+	226.98022142	146.4
[M]-	226.98131858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe