CID 211110

22287-69-0

Structural Information

Molecular Formula

C₁₃H₉N₃

SMILES

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

InChI

InChI=1S/C13H9N3/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10H

InChIKey

NCIOYHPFZVZTGJ-UHFFFAOYSA-N

Compound name

(4-isocyanophenyl)-phenyldiazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.07965 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]+	208.08693	153.8
[M+Na]+	230.06887	162.7
[M-H]-	206.07237	159.8
[M+NH4]+	225.11347	169.8
[M+K]+	246.04281	152.9
[M+H-H2O]+	190.07691	143.6
[M+HCOO]-	252.07785	177.8
[M+CH3COO]-	266.09350	197.1
[M+Na-2H]-	228.05432	162.1
[M]+	207.07910	145.5
[M]-	207.08020	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe