CID 3043661

1,3-indandione, 4-fluoro-2-(m-methoxyphenyl)-

Structural Information

Molecular Formula

C₁₆H₁₁FO₃

SMILES

COC1=CC=CC(=C1)C2C(=O)C3=C(C2=O)C(=CC=C3)F

InChI

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

InChIKey

PERAJVUZNBFSAE-UHFFFAOYSA-N

Compound name

4-fluoro-2-(3-methoxyphenyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.0692 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]+	271.076476	156.5
[M+Na]+	293.058418	167.6
[M-H]-	269.061924	164.1
[M+NH4]+	288.103023	176.3
[M+K]+	309.032358	163.0
[M+H-H2O]+	253.066460	149.3
[M+HCOO]-	315.067401	179.3
[M+CH3COO]-	329.083051	198.9
[M+Na-2H]-	291.043866	159.0
[M]+	270.06865142	158.3
[M]-	270.06974858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.