CID 13628145

105884-19-3

Structural Information

Molecular Formula

SMILES

CC(=O)C1=C(C=CC(=C1)Br)Cl

InChI

InChI=1S/C8H6BrClO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3

InChIKey

FVJMYXDLWAEIKP-UHFFFAOYSA-N

Compound name

1-(5-bromo-2-chlorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 231.92906 Da
Monoisotopic Mass: 2.9
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]+	232.93634	136.0
[M+Na]+	254.91828	141.3
[M+NH4]+	249.96288	141.8
[M+K]+	270.89222	140.5
[M-H]-	230.92178	137.1
[M+Na-2H]-	252.90373	140.5
[M]+	231.92851	136.2
[M]-	231.92961	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe