CID 21433

N-benzylidene-m-nitroaniline

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O2/c16-15(17)13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11/h1-10H

InChIKey

HFGFPUPROHHWFT-UHFFFAOYSA-N

Compound name

N-(3-nitrophenyl)-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 12
Patents: 226.07423 Da
Monoisotopic Mass: 2.6
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]+	227.08151	148.1
[M+Na]+	249.06345	163.5
[M+NH4]+	244.10805	157.3
[M+K]+	265.03739	157.6
[M-H]-	225.06695	155.3
[M+Na-2H]-	247.04890	158.8
[M]+	226.07368	152.3
[M]-	226.07478	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe