CID 199762

1h-1,2,4-triazole, 5-(p-sulfamoylphenyl)-

Structural Information

Molecular Formula
C8H8N4O2S
SMILES
C1=CC(=CC=C1C2=NC=NN2)S(=O)(=O)N
InChI
InChI=1S/C8H8N4O2S/c9-15(13,14)7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H2,9,13,14)(H,10,11,12)
InChIKey
FQAHYLJIQSNCSE-UHFFFAOYSA-N
Compound name
4-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.0368 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04408 146.2
[M+Na]+ 247.02602 156.4
[M-H]- 223.02952 148.4
[M+NH4]+ 242.07062 161.6
[M+K]+ 262.99996 151.6
[M+H-H2O]+ 207.03406 138.9
[M+HCOO]- 269.03500 162.6
[M+CH3COO]- 283.05065 181.8
[M+Na-2H]- 245.01147 150.7
[M]+ 224.03625 145.5
[M]- 224.03735 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe