CID 3043662

55916-15-9

Structural Information

Molecular Formula

C₁₅H₉FO₂

SMILES

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

InChI

InChI=1S/C15H9FO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H

InChIKey

XBMADVPYRHESEM-UHFFFAOYSA-N

Compound name

5-fluoro-2-phenylindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.05865 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]+	241.065926	149.0
[M+Na]+	263.047868	159.8
[M-H]-	239.051374	156.4
[M+NH4]+	258.092473	169.8
[M+K]+	279.021808	154.8
[M+H-H2O]+	223.055910	141.9
[M+HCOO]-	285.056851	172.0
[M+CH3COO]-	299.072501	163.0
[M+Na-2H]-	261.033316	152.6
[M]+	240.05810142	148.6
[M]-	240.05919858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe