CID 81652

1-(4-bromophenyl)-3,3-dimethyltriazene

Structural Information

Molecular Formula

C₈H₁₀BrN₃

SMILES

CN(C)N=NC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H10BrN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey

LFGYQNAHFGPILM-UHFFFAOYSA-N

Compound name

N-[(4-bromophenyl)diazenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 227.00581 Da
Monoisotopic Mass: 3.4
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]+	228.01309	139.8
[M+Na]+	249.99503	142.5
[M+NH4]+	245.03963	145.4
[M+K]+	265.96897	141.9
[M-H]-	225.99853	143.1
[M+Na-2H]-	247.98048	145.3
[M]+	227.00526	139.8
[M]-	227.00636	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe