CID 456796

2-(3-nitroanilino)acetohydrazide

Structural Information

Molecular Formula
C8H10N4O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)NN
InChI
InChI=1S/C8H10N4O3/c9-11-8(13)5-10-6-2-1-3-7(4-6)12(14)15/h1-4,10H,5,9H2,(H,11,13)
InChIKey
ZJLQXOCLNXQNPU-UHFFFAOYSA-N
Compound name
2-(3-nitroanilino)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.07529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08257 138.8
[M+Na]+ 233.06451 143.6
[M-H]- 209.06801 142.0
[M+NH4]+ 228.10911 155.2
[M+K]+ 249.03845 138.1
[M+H-H2O]+ 193.07255 136.2
[M+HCOO]- 255.07349 166.6
[M+CH3COO]- 269.08914 185.8
[M+Na-2H]- 231.04996 146.7
[M]+ 210.07474 134.2
[M]- 210.07584 134.2
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.