CID 82374064

5-chloro-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₅Cl₂NO₂S

SMILES

C1=CC2=C(C=C1Cl)C(=CN2)S(=O)(=O)Cl

InChI

InChI=1S/C8H5Cl2NO2S/c9-5-1-2-7-6(3-5)8(4-11-7)14(10,12)13/h1-4,11H

InChIKey

POQFPVLKNKMPJW-UHFFFAOYSA-N

Compound name

5-chloro-1H-indole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.9418 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]+	249.949076	147.0
[M+Na]+	271.931018	160.6
[M-H]-	247.934524	150.1
[M+NH4]+	266.975623	167.6
[M+K]+	287.904958	154.0
[M+H-H2O]+	231.939060	143.8
[M+HCOO]-	293.940001	155.5
[M+CH3COO]-	307.955651	183.0
[M+Na-2H]-	269.916466	151.7
[M]+	248.94125142	153.0
[M]-	248.94234858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.