CID 5413000

137374-74-4

Structural Information

Molecular Formula

C₁₅H₉FO₄

SMILES

C1=CC=C(C(=C1)OC2=COC3=C(C2=O)C=CC(=C3)O)F

InChI

InChI=1S/C15H9FO4/c16-11-3-1-2-4-12(11)20-14-8-19-13-7-9(17)5-6-10(13)15(14)18/h1-8,17H

InChIKey

HRRFNGSXGVNKIR-UHFFFAOYSA-N

Compound name

3-(2-fluorophenoxy)-7-hydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 272.0485 Da
Monoisotopic Mass: 3.0
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]+	273.05578	155.3
[M+Na]+	295.03772	166.4
[M-H]-	271.04122	162.3
[M+NH4]+	290.08232	170.9
[M+K]+	311.01166	163.2
[M+H-H2O]+	255.04576	146.9
[M+HCOO]-	317.04670	176.6
[M+CH3COO]-	331.06235	168.6
[M+Na-2H]-	293.02317	162.9
[M]+	272.04795	157.9
[M]-	272.04905	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe