CID 66658833

1h-indole-4-sulfonamide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
C1=CC2=C(C=CN2)C(=C1)S(=O)(=O)N
InChI
InChI=1S/C8H8N2O2S/c9-13(11,12)8-3-1-2-7-6(8)4-5-10-7/h1-5,10H,(H2,9,11,12)
InChIKey
WOYCLZOYKGDAGG-UHFFFAOYSA-N
Compound name
1H-indole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

196.03065 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 137.8
[M+Na]+ 219.01987 149.0
[M-H]- 195.02337 140.5
[M+NH4]+ 214.06447 158.4
[M+K]+ 234.99381 144.4
[M+H-H2O]+ 179.02791 132.8
[M+HCOO]- 241.02885 156.5
[M+CH3COO]- 255.04450 177.5
[M+Na-2H]- 217.00532 144.2
[M]+ 196.03010 139.1
[M]- 196.03120 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