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]+ 197.06693 134.8
[M+Na]+ 219.04887 140.9
[M-H]- 195.05237 138.0
[M+NH4]+ 214.09347 151.8
[M+K]+ 235.02281 135.4
[M+H-H2O]+ 179.05691 132.6
[M+HCOO]- 241.05785 162.2
[M+CH3COO]- 255.07350 183.3
[M+Na-2H]- 217.03432 141.4
[M]+ 196.05910 129.2
[M]- 196.06020 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.