CID 369408

16210-64-3

Structural Information

Molecular Formula

C₁₆H₉FO₂

SMILES

C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)F)C2=O

InChI

InChI=1S/C16H9FO2/c17-11-7-5-10(6-8-11)9-14-15(18)12-3-1-2-4-13(12)16(14)19/h1-9H

InChIKey

MBHDCJLDOHEKIU-UHFFFAOYSA-N

Compound name

2-[(4-fluorophenyl)methylidene]indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 252.05865 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]+	253.06593	152.8
[M+Na]+	275.04787	163.6
[M-H]-	251.05137	160.0
[M+NH4]+	270.09247	173.1
[M+K]+	291.02181	157.6
[M+H-H2O]+	235.05591	145.6
[M+HCOO]-	297.05685	175.7
[M+CH3COO]-	311.07250	194.1
[M+Na-2H]-	273.03332	155.8
[M]+	252.05810	151.9
[M]-	252.05920	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe