CID 5271535

644973-64-8

Structural Information

Molecular Formula

C₁₅H₁₁BrO₂

SMILES

C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3Br

InChI

InChI=1S/C15H11BrO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15H,9H2

InChIKey

XBJCSFWSBKCPOL-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 301.99423 Da
Monoisotopic Mass: 3.6
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	160.7
[M+Na]+	324.98345	171.8
[M-H]-	300.98695	171.2
[M+NH4]+	320.02805	179.1
[M+K]+	340.95739	161.4
[M+H-H2O]+	284.99149	159.9
[M+HCOO]-	346.99243	178.9
[M+CH3COO]-	361.00808	174.9
[M+Na-2H]-	322.96890	168.3
[M]+	301.99368	178.5
[M]-	301.99478	178.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.