CID 256544

1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula

C₁₆H₁₃BrO₂

SMILES

COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3

InChIKey

FTECEXAWFUIWJG-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 32
Patents: 316.0099 Da
Monoisotopic Mass: 3.7
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]+	317.01718	160.6
[M+Na]+	338.99912	165.8
[M+NH4]+	334.04372	165.4
[M+K]+	354.97306	164.1
[M-H]-	315.00262	163.2
[M+Na-2H]-	336.98457	166.2
[M]+	316.00935	161.0
[M]-	316.01045	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe