CID 21708721

1h-indole-6-sulfonamide

Structural Information

Molecular Formula

C₈H₈N₂O₂S

SMILES

C1=CC(=CC2=C1C=CN2)S(=O)(=O)N

InChI

InChI=1S/C8H8N2O2S/c9-13(11,12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H2,9,11,12)

InChIKey

AFJYOUBTIAOUQI-UHFFFAOYSA-N

Compound name

1H-indole-6-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 196.03065 Da
Monoisotopic Mass: 1.2
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]+	197.037926	137.8
[M+Na]+	219.019868	149.0
[M-H]-	195.023374	140.5
[M+NH4]+	214.064473	158.4
[M+K]+	234.993808	144.4
[M+H-H2O]+	179.027910	132.8
[M+HCOO]-	241.028851	156.5
[M+CH3COO]-	255.044501	177.5
[M+Na-2H]-	217.005316	144.2
[M]+	196.03010142	139.1
[M]-	196.03119858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe