CID 466271

6-fluoro-4'-methoxyflavone

Structural Information

Molecular Formula

C₁₆H₁₁FO₃

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)F

InChI

InChI=1S/C16H11FO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3

InChIKey

FSVXPKJYQMILMB-UHFFFAOYSA-N

Compound name

6-fluoro-2-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 270.0692 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]+	271.07648	156.7
[M+Na]+	293.05842	167.9
[M-H]-	269.06192	164.8
[M+NH4]+	288.10302	173.2
[M+K]+	309.03236	164.7
[M+H-H2O]+	253.06646	148.0
[M+HCOO]-	315.06740	179.0
[M+CH3COO]-	329.08305	170.3
[M+Na-2H]-	291.04387	164.0
[M]+	270.06865	159.9
[M]-	270.06975	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe