CID 8689

Diazoaminobenzene

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

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

InChI

InChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)

InChIKey

ALIFPGGMJDWMJH-UHFFFAOYSA-N

Compound name

N-phenyldiazenylaniline

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 20
References: 6281
Patents: 197.09529 Da
Monoisotopic Mass: 4.0
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]+	198.102566	139.4
[M+Na]+	220.084508	145.5
[M-H]-	196.088014	148.6
[M+NH4]+	215.129113	158.6
[M+K]+	236.058448	143.1
[M+H-H2O]+	180.092550	130.9
[M+HCOO]-	242.093491	170.7
[M+CH3COO]-	256.109141	194.4
[M+Na-2H]-	218.069956	150.8
[M]+	197.09474142	138.6
[M]-	197.09583858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe