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

4
Annotation Hits: 20
References: 5054
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]+	198.10257	143.4
[M+Na]+	220.08451	157.1
[M+NH4]+	215.12911	153.3
[M+K]+	236.05845	148.2
[M-H]-	196.08801	151.1
[M+Na-2H]-	218.06996	155.7
[M]+	197.09474	147.5
[M]-	197.09584	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe