CID 10803480

1-(4-(4-bromophenoxy)phenyl)ethanone

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

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

InChI

InChI=1S/C14H11BrO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3

InChIKey

YLBRBIMNUGZGTD-UHFFFAOYSA-N

Compound name

1-[4-(4-bromophenoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 289.99423 Da
Monoisotopic Mass: 4.0
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	156.0
[M+Na]+	312.983448	167.0
[M-H]-	288.986954	165.3
[M+NH4]+	308.028053	175.1
[M+K]+	328.957388	156.0
[M+H-H2O]+	272.991490	155.2
[M+HCOO]-	334.992431	177.4
[M+CH3COO]-	349.008081	197.8
[M+Na-2H]-	310.968896	162.2
[M]+	289.99368142	175.9
[M]-	289.99477858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe