CID 9603061

Benzoic acid, 3-(n2-nitromethylidenhydrazono)-

Structural Information

Molecular Formula
C8H7N3O4
SMILES
C1=CC(=CC(=C1)N/N=C/[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H7N3O4/c12-8(13)6-2-1-3-7(4-6)10-9-5-11(14)15/h1-5,10H,(H,12,13)/b9-5+
InChIKey
RASCTTJMDLLADA-WEVVVXLNSA-N
Compound name
3-[(2E)-2-(nitromethylidene)hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

209.04366 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05094 140.5
[M+Na]+ 232.03288 150.8
[M+NH4]+ 227.07748 146.7
[M+K]+ 248.00682 149.2
[M-H]- 208.03638 143.1
[M+Na-2H]- 230.01833 145.9
[M]+ 209.04311 142.1
[M]- 209.04421 142.1
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.