CID 112886

4-phenylazophenacyl bromide

Structural Information

Molecular Formula

C₁₄H₁₁BrN₂O

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)CBr

InChI

InChI=1S/C14H11BrN2O/c15-10-14(18)11-6-8-13(9-7-11)17-16-12-4-2-1-3-5-12/h1-9H,10H2

InChIKey

ZXTGCMLCYPYCID-UHFFFAOYSA-N

Compound name

2-bromo-1-(4-phenyldiazenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 302.0055 Da
Monoisotopic Mass: 4.6
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]+	303.012776	158.4
[M+Na]+	324.994718	168.0
[M-H]-	300.998224	169.7
[M+NH4]+	320.039323	177.3
[M+K]+	340.968658	156.9
[M+H-H2O]+	285.002760	155.7
[M+HCOO]-	347.003701	184.4
[M+CH3COO]-	361.019351	207.4
[M+Na-2H]-	322.980166	166.8
[M]+	302.00495142	177.8
[M]-	302.00604858	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe