CID 5271543

844-66-6

Structural Information

Molecular Formula

C₁₆H₁₃FO₃

SMILES

COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)F

InChI

InChI=1S/C16H13FO3/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-8,15H,9H2,1H3

InChIKey

MQUZZZVJAVDIPR-UHFFFAOYSA-N

Compound name

7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 272.08487 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]+	273.09215	158.5
[M+Na]+	295.07409	167.6
[M-H]-	271.07759	165.8
[M+NH4]+	290.11869	174.6
[M+K]+	311.04803	164.8
[M+H-H2O]+	255.08213	149.8
[M+HCOO]-	317.08307	177.9
[M+CH3COO]-	331.09872	199.1
[M+Na-2H]-	293.05954	163.9
[M]+	272.08432	158.8
[M]-	272.08542	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe