CID 466250

55370-65-5

Structural Information

Molecular Formula

C₁₅H₁₁BrO₂

SMILES

C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2O)Br

InChI

InChI=1S/C15H11BrO2/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,17H

InChIKey

NTNRRUWBUFUMCG-UHFFFAOYSA-N

Compound name

3-(2-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 301.99423 Da
Monoisotopic Mass: 4.6
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]+	303.00151	160.1
[M+Na]+	324.98345	170.6
[M-H]-	300.98695	168.0
[M+NH4]+	320.02805	178.1
[M+K]+	340.95739	157.9
[M+H-H2O]+	284.99149	159.4
[M+HCOO]-	346.99243	179.9
[M+CH3COO]-	361.00808	196.8
[M+Na-2H]-	322.96890	165.3
[M]+	301.99368	177.8
[M]-	301.99478	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe