CID 3332418

N'-acetyl-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C9H9N3O4
SMILES
CC(=O)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O4/c1-6(13)10-11-9(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H3,(H,10,13)(H,11,14)
InChIKey
UGBLEARQDSFEGM-UHFFFAOYSA-N
Compound name
N'-acetyl-4-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.05931 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06659 145.2
[M+Na]+ 246.04853 155.0
[M+NH4]+ 241.09313 151.2
[M+K]+ 262.02247 153.9
[M-H]- 222.05203 147.5
[M+Na-2H]- 244.03398 149.9
[M]+ 223.05876 146.6
[M]- 223.05986 146.6
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

patents stripe