CID 2924973

156755-23-6

Structural Information

Molecular Formula

C₁₅H₁₁BrO₂

SMILES

C1C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3

InChI

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

InChIKey

KFKFQGCDFMGUCH-UHFFFAOYSA-N

Compound name

6-bromo-4-phenyl-3,4-dihydrochromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 72
Patents: 301.99423 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]+	303.001506	160.7
[M+Na]+	324.983448	171.8
[M-H]-	300.986954	171.2
[M+NH4]+	320.028053	179.1
[M+K]+	340.957388	161.4
[M+H-H2O]+	284.991490	159.9
[M+HCOO]-	346.992431	178.9
[M+CH3COO]-	361.008081	174.9
[M+Na-2H]-	322.968896	168.3
[M]+	301.99368142	178.5
[M]-	301.99477858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe