CID 11141804

68418-51-9

Structural Information

Molecular Formula

C₂₀H₁₂F₂O₂

SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H12F2O2/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12H

InChIKey

LLJNTLUXOZPFQB-UHFFFAOYSA-N

Compound name

[4-(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 787
Patents: 322.08054 Da
Monoisotopic Mass: 4.8
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]+	323.08782	176.4
[M+Na]+	345.06976	191.0
[M+NH4]+	340.11436	183.3
[M+K]+	361.04370	182.6
[M-H]-	321.07326	180.0
[M+Na-2H]-	343.05521	185.9
[M]+	322.07999	179.5
[M]-	322.08109	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe