CID 62679217

52943-86-9

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CC=C(C(=C1)N2C(=NC=N2)N)[N+](=O)[O-]
InChI
InChI=1S/C8H7N5O2/c9-8-10-5-11-12(8)6-3-1-2-4-7(6)13(14)15/h1-5H,(H2,9,10,11)
InChIKey
HPDVIKWGZRKXAO-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05997 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 138.4
[M+Na]+ 228.04919 146.8
[M-H]- 204.05269 141.9
[M+NH4]+ 223.09379 153.6
[M+K]+ 244.02313 139.9
[M+H-H2O]+ 188.05723 134.0
[M+HCOO]- 250.05817 163.2
[M+CH3COO]- 264.07382 179.8
[M+Na-2H]- 226.03464 147.3
[M]+ 205.05942 135.3
[M]- 205.06052 135.3
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.