CID 16227939

2-chloroquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula

C₉H₅Cl₂NO₂S

SMILES

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

InChI

InChI=1S/C9H5Cl2NO2S/c10-9-4-1-6-5-7(15(11,13)14)2-3-8(6)12-9/h1-5H

InChIKey

OBSXSFGTHBBROC-UHFFFAOYSA-N

Compound name

2-chloroquinoline-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 260.9418 Da
Monoisotopic Mass: 2.7
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]+	261.94908	146.8
[M+Na]+	283.93102	159.2
[M-H]-	259.93452	150.6
[M+NH4]+	278.97562	165.5
[M+K]+	299.90496	153.4
[M+H-H2O]+	243.93906	142.6
[M+HCOO]-	305.94000	154.4
[M+CH3COO]-	319.95565	188.7
[M+Na-2H]-	281.91647	153.4
[M]+	260.94125	152.9
[M]-	260.94235	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe