CID 82374077

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

Structural Information

Molecular Formula

C₈H₅Cl₂NO₂S

SMILES

C1=CC2=C(C=C1Cl)NC=C2S(=O)(=O)Cl

InChI

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

InChIKey

LSBWUVXQQOOFSB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
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]+	249.94908	147.0
[M+Na]+	271.93102	160.6
[M-H]-	247.93452	150.1
[M+NH4]+	266.97562	167.6
[M+K]+	287.90496	154.0
[M+H-H2O]+	231.93906	143.8
[M+HCOO]-	293.94000	155.5
[M+CH3COO]-	307.95565	183.0
[M+Na-2H]-	269.91647	151.7
[M]+	248.94125	153.0
[M]-	248.94235	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe