CID 5745471

56746-02-2

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CC(=CC=C1C2=NNN=C2[N+](=O)[O-])N
InChI
InChI=1S/C8H7N5O2/c9-6-3-1-5(2-4-6)7-8(13(14)15)11-12-10-7/h1-4H,9H2,(H,10,11,12)
InChIKey
XAMRWTQGFJLJMR-UHFFFAOYSA-N
Compound name
4-(5-nitro-2H-triazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05997 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 138.3
[M+Na]+ 228.04919 150.7
[M+NH4]+ 223.09379 144.8
[M+K]+ 244.02313 150.7
[M-H]- 204.05269 141.1
[M+Na-2H]- 226.03464 145.4
[M]+ 205.05942 140.4
[M]- 205.06052 140.4
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.