CID 3807640

N'-(2,4-dinitrophenyl)acetohydrazide

Structural Information

Molecular Formula
C8H8N4O5
SMILES
CC(=O)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O5/c1-5(13)9-10-7-3-2-6(11(14)15)4-8(7)12(16)17/h2-4,10H,1H3,(H,9,13)
InChIKey
NYZGFEVPHFYXKA-UHFFFAOYSA-N
Compound name
N'-(2,4-dinitrophenyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

240.04947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05675 145.4
[M+Na]+ 263.03869 150.0
[M-H]- 239.04219 149.1
[M+NH4]+ 258.08329 159.7
[M+K]+ 279.01263 141.1
[M+H-H2O]+ 223.04673 147.2
[M+HCOO]- 285.04767 172.7
[M+CH3COO]- 299.06332 184.7
[M+Na-2H]- 261.02414 154.3
[M]+ 240.04892 141.2
[M]- 240.05002 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.