CID 17385

2569-58-6

Structural Information

Molecular Formula

C₁₁H₉N₃

SMILES

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

InChI

InChI=1S/C11H9N3/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9H

InChIKey

STGZUKHALNSQAG-UHFFFAOYSA-N

Compound name

phenyl(pyridin-4-yl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 268
Patents: 183.07965 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]+	184.08693	136.1
[M+Na]+	206.06887	143.5
[M-H]-	182.07237	144.1
[M+NH4]+	201.11347	154.9
[M+K]+	222.04281	141.2
[M+H-H2O]+	166.07691	127.2
[M+HCOO]-	228.07785	165.4
[M+CH3COO]-	242.09350	189.1
[M+Na-2H]-	204.05432	147.8
[M]+	183.07910	136.1
[M]-	183.08020	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe