CID 14797682

52955-87-0

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

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

InChI

InChI=1S/C14H11BrO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h1-9H,10H2

InChIKey

RNTHCOLZZKPQQH-UHFFFAOYSA-N

Compound name

2-bromo-1-(3-phenoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 289.99423 Da
Monoisotopic Mass: 3.9
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]+	291.001506	156.7
[M+Na]+	312.983448	166.9
[M-H]-	288.986954	165.6
[M+NH4]+	308.028053	175.5
[M+K]+	328.957388	155.8
[M+H-H2O]+	272.991490	155.8
[M+HCOO]-	334.992431	178.1
[M+CH3COO]-	349.008081	196.7
[M+Na-2H]-	310.968896	163.5
[M]+	289.99368142	176.2
[M]-	289.99477858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe