CID 466292

3-hydroxy-8-fluoroflavanone

Structural Information

Molecular Formula

C₁₅H₉FO₃

SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=CC=C3)F)O

InChI

InChI=1S/C15H9FO3/c16-11-8-4-7-10-12(17)13(18)14(19-15(10)11)9-5-2-1-3-6-9/h1-8,18H

InChIKey

JJEOPUXXCMGISF-UHFFFAOYSA-N

Compound name

8-fluoro-3-hydroxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.05356 Da
Monoisotopic Mass: 3.1
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]+	257.06084	152.2
[M+Na]+	279.04278	163.4
[M-H]-	255.04628	159.1
[M+NH4]+	274.08738	168.5
[M+K]+	295.01672	159.6
[M+H-H2O]+	239.05082	144.1
[M+HCOO]-	301.05176	173.3
[M+CH3COO]-	315.06741	165.6
[M+Na-2H]-	277.02823	159.7
[M]+	256.05301	153.3
[M]-	256.05411	153.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.