CID 3308401

128040-46-0

Structural Information

Molecular Formula

C₁₅H₁₃FO₃

SMILES

COC1=CC(=C(C=C1)C(=O)CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C15H13FO3/c1-19-12-6-7-13(15(18)9-12)14(17)8-10-2-4-11(16)5-3-10/h2-7,9,18H,8H2,1H3

InChIKey

HWPITLFFNWCPCP-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.08487 Da
Monoisotopic Mass: 3.7
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]+	261.092146	155.7
[M+Na]+	283.074088	164.1
[M-H]-	259.077594	160.3
[M+NH4]+	278.118693	171.9
[M+K]+	299.048028	160.4
[M+H-H2O]+	243.082130	147.7
[M+HCOO]-	305.083071	177.0
[M+CH3COO]-	319.098721	194.8
[M+Na-2H]-	281.059536	158.8
[M]+	260.08432142	156.3
[M]-	260.08541858	156.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.