CID 102283

2558-18-1

Structural Information

Molecular Formula

C₁₅H₉FO₂

SMILES

C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)F)OC2=O

InChI

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

InChIKey

YUUDPCAZITYZNH-UHFFFAOYSA-N

Compound name

3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 240.05865 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]+	241.06593	149.5
[M+Na]+	263.04787	159.7
[M-H]-	239.05137	157.2
[M+NH4]+	258.09247	168.9
[M+K]+	279.02181	155.6
[M+H-H2O]+	223.05591	142.4
[M+HCOO]-	285.05685	171.7
[M+CH3COO]-	299.07250	163.3
[M+Na-2H]-	261.03332	154.5
[M]+	240.05810	149.2
[M]-	240.05920	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe