CID 219132

3-nitrobenzaldoxime

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=NO

InChI

InChI=1S/C7H6N2O3/c10-8-5-6-2-1-3-7(4-6)9(11)12/h1-5,10H

InChIKey

GQMMRLBWXCGBEV-UHFFFAOYSA-N

Compound name

N-[(3-nitrophenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 166.03784 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.04512	130.1
[M+Na]+	189.02706	142.8
[M+NH4]+	184.07166	138.1
[M+K]+	205.00100	139.7
[M-H]-	165.03056	133.6
[M+Na-2H]-	187.01251	137.1
[M]+	166.03729	132.6
[M]-	166.03839	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe