CID 3332418

P-nitrobenzoic acid, acetylhydrazide

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 143.7
[M+Na]+ 246.04853 148.9
[M-H]- 222.05203 147.5
[M+NH4]+ 241.09313 160.1
[M+K]+ 262.02247 144.1
[M+H-H2O]+ 206.05657 141.4
[M+HCOO]- 268.05751 170.2
[M+CH3COO]- 282.07316 185.0
[M+Na-2H]- 244.03398 150.5
[M]+ 223.05876 141.0
[M]- 223.05986 141.0
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