CID 9622718

N'-(4-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC(=O)N/N=C/C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O3/c1-7(13)11-10-6-8-2-4-9(5-3-8)12(14)15/h2-6H,1H3,(H,11,13)/b10-6+
InChIKey
PNBQKDHIEMSGBS-UXBLZVDNSA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06439 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 140.9
[M+Na]+ 230.053608 147.0
[M-H]- 206.057114 146.1
[M+NH4]+ 225.098213 158.9
[M+K]+ 246.027548 142.0
[M+H-H2O]+ 190.061650 138.6
[M+HCOO]- 252.062591 169.7
[M+CH3COO]- 266.078241 185.5
[M+Na-2H]- 228.039056 149.2
[M]+ 207.06384142 139.6
[M]- 207.06493858 139.6
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.