CID 102159

4-bromobenzalacetophenone

Structural Information

Molecular Formula

C₁₅H₁₁BrO

SMILES

C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H11BrO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H

InChIKey

JFARWEWTPMAQHW-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 151
Patents: 285.99933 Da
Monoisotopic Mass: 3.8
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]+	287.00661	153.3
[M+Na]+	308.98855	158.8
[M+NH4]+	304.03315	158.7
[M+K]+	324.96249	156.7
[M-H]-	284.99205	156.3
[M+Na-2H]-	306.97400	159.8
[M]+	285.99878	153.9
[M]-	285.99988	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe