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]+ 208.07167 140.9
[M+Na]+ 230.05361 147.0
[M-H]- 206.05711 146.1
[M+NH4]+ 225.09821 158.9
[M+K]+ 246.02755 142.0
[M+H-H2O]+ 190.06165 138.6
[M+HCOO]- 252.06259 169.7
[M+CH3COO]- 266.07824 185.5
[M+Na-2H]- 228.03906 149.2
[M]+ 207.06384 139.6
[M]- 207.06494 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.