CID 199767

Brn 2987543

Structural Information

Molecular Formula
C8H9N5O2S
SMILES
C1=CC(=CC=C1C2=NNC(=N2)S(=O)(=O)N)N
InChI
InChI=1S/C8H9N5O2S/c9-6-3-1-5(2-4-6)7-11-8(13-12-7)16(10,14)15/h1-4H,9H2,(H2,10,14,15)(H,11,12,13)
InChIKey
ATCMEODUEFPKIV-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-1H-1,2,4-triazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0477 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05498 149.6
[M+Na]+ 262.03692 159.6
[M-H]- 238.04042 151.6
[M+NH4]+ 257.08152 163.9
[M+K]+ 278.01086 154.3
[M+H-H2O]+ 222.04496 142.1
[M+HCOO]- 284.04590 166.3
[M+CH3COO]- 298.06155 187.7
[M+Na-2H]- 260.02237 153.3
[M]+ 239.04715 147.6
[M]- 239.04825 147.6
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

No patent data available for this compound.