CID 18960409

1h-indole-3-sulfonamide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
C1=CC=C2C(=C1)C(=CN2)S(=O)(=O)N
InChI
InChI=1S/C8H8N2O2S/c9-13(11,12)8-5-10-7-4-2-1-3-6(7)8/h1-5,10H,(H2,9,11,12)
InChIKey
AKSKDJAFNCAVPW-UHFFFAOYSA-N
Compound name
1H-indole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

326
Patents

196.03065 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe