CID 4411726

86293-48-3

Structural Information

Molecular Formula

C₁₅H₁₀BrClO

SMILES

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

InChI

InChI=1S/C15H10BrClO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H

InChIKey

BEAOMTXVYPADSY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 319.96036 Da
Monoisotopic Mass: 5.1
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]+	320.96764	161.6
[M+Na]+	342.94958	173.9
[M-H]-	318.95308	170.7
[M+NH4]+	337.99418	180.6
[M+K]+	358.92352	159.5
[M+H-H2O]+	302.95762	161.7
[M+HCOO]-	364.95856	178.4
[M+CH3COO]-	378.97421	200.8
[M+Na-2H]-	340.93503	167.1
[M]+	319.95981	181.9
[M]-	319.96091	181.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.