CID 156556

2-(4-nitrophenoxy)acetohydrazide

Structural Information

Molecular Formula
C8H9N3O4
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NN
InChI
InChI=1S/C8H9N3O4/c9-10-8(12)5-15-7-3-1-6(2-4-7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKey
BDPKZWIKLVUGKS-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

211.05931 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.066586 139.6
[M+Na]+ 234.048528 145.1
[M-H]- 210.052034 142.9
[M+NH4]+ 229.093133 156.3
[M+K]+ 250.022468 140.2
[M+H-H2O]+ 194.056570 137.3
[M+HCOO]- 256.057511 166.6
[M+CH3COO]- 270.073161 182.9
[M+Na-2H]- 232.033976 147.2
[M]+ 211.05876142 137.1
[M]- 211.05985858 137.1
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

patents stripe