CID 76077

Einecs 220-610-2

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

C1=CC=C(C=C1)N=NC2=CC=CC=C2N

InChI

InChI=1S/C12H11N3/c13-11-8-4-5-9-12(11)15-14-10-6-2-1-3-7-10/h1-9H,13H2

InChIKey

KQZBSZUGKSCFBL-UHFFFAOYSA-N

Compound name

2-phenyldiazenylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 679
Patents: 197.09529 Da
Monoisotopic Mass: 3.0
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]+	198.10257	140.3
[M+Na]+	220.08451	147.5
[M-H]-	196.08801	149.5
[M+NH4]+	215.12911	159.6
[M+K]+	236.05845	144.7
[M+H-H2O]+	180.09255	132.1
[M+HCOO]-	242.09349	171.1
[M+CH3COO]-	256.10914	194.9
[M+Na-2H]-	218.06996	149.9
[M]+	197.09474	139.0
[M]-	197.09584	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe