CID 2272

Azobenzene

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

C1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C12H10N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

InChIKey

DMLAVOWQYNRWNQ-UHFFFAOYSA-N

Compound name

diphenyldiazene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1925
References: 49174
Patents: 182.0844 Da
Monoisotopic Mass: 3.8
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]+	183.09168	136.2
[M+Na]+	205.07362	143.3
[M-H]-	181.07712	145.6
[M+NH4]+	200.11822	156.5
[M+K]+	221.04756	140.9
[M+H-H2O]+	165.08166	128.2
[M+HCOO]-	227.08260	166.6
[M+CH3COO]-	241.09825	189.5
[M+Na-2H]-	203.05907	147.2
[M]+	182.08385	136.2
[M]-	182.08495	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe