CID 13072012

84447-83-6

Structural Information

Molecular Formula

C₁₄H₁₀BrClO₂

SMILES

C1=CC(=CC=C1C(=O)CBr)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H10BrClO2/c15-9-14(17)10-1-5-12(6-2-10)18-13-7-3-11(16)4-8-13/h1-8H,9H2

InChIKey

ORXLVGIZIGVHGE-UHFFFAOYSA-N

Compound name

2-bromo-1-[4-(4-chlorophenoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 323.95526 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]+	324.962536	160.9
[M+Na]+	346.944478	173.0
[M-H]-	322.947984	170.1
[M+NH4]+	341.989083	179.7
[M+K]+	362.918418	160.0
[M+H-H2O]+	306.952520	160.8
[M+HCOO]-	368.953461	178.0
[M+CH3COO]-	382.969111	201.2
[M+Na-2H]-	344.929926	166.8
[M]+	323.95471142	182.9
[M]-	323.95580858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe