CID 3740825

3-amino-5-nitrobenzohydrazide

Structural Information

Molecular Formula
C7H8N4O3
SMILES
C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)NN
InChI
InChI=1S/C7H8N4O3/c8-5-1-4(7(12)10-9)2-6(3-5)11(13)14/h1-3H,8-9H2,(H,10,12)
InChIKey
UPGOATGNVSQRAI-UHFFFAOYSA-N
Compound name
3-amino-5-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.066926 134.8
[M+Na]+ 219.048868 140.9
[M-H]- 195.052374 138.0
[M+NH4]+ 214.093473 151.8
[M+K]+ 235.022808 135.4
[M+H-H2O]+ 179.056910 132.6
[M+HCOO]- 241.057851 162.2
[M+CH3COO]- 255.073501 183.3
[M+Na-2H]- 217.034316 141.4
[M]+ 196.05910142 129.2
[M]- 196.06019858 129.2
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.