CID 10316

Azoxybenzene

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

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

InChI

InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H

InChIKey

GAUZCKBSTZFWCT-UHFFFAOYSA-N

Compound name

oxido-phenyl-phenyliminoazanium

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 2922
Patents: 198.07932 Da
Monoisotopic Mass: 3.1
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]+	199.086596	140.6
[M+Na]+	221.068538	146.3
[M-H]-	197.072044	148.4
[M+NH4]+	216.113143	158.8
[M+K]+	237.042478	139.5
[M+H-H2O]+	181.076580	137.4
[M+HCOO]-	243.077521	169.0
[M+CH3COO]-	257.093171	182.5
[M+Na-2H]-	219.053986	151.2
[M]+	198.07877142	137.6
[M]-	198.07986858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe