CID 200694

2525-83-9

Structural Information

Molecular Formula

C₁₇H₁₀F₆O₂

SMILES

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

InChI

InChI=1S/C17H10F6O2/c18-15(19,13(24)11-7-3-1-4-8-11)17(22,23)16(20,21)14(25)12-9-5-2-6-10-12/h1-10H

InChIKey

CGVZHKUUFCLZHQ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4-hexafluoro-1,5-diphenylpentane-1,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 360.0585 Da
Monoisotopic Mass: 5.0
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]+	361.06578	174.1
[M+Na]+	383.04772	181.0
[M-H]-	359.05122	172.7
[M+NH4]+	378.09232	185.5
[M+K]+	399.02166	176.1
[M+H-H2O]+	343.05576	162.0
[M+HCOO]-	405.05670	184.9
[M+CH3COO]-	419.07235	212.8
[M+Na-2H]-	381.03317	177.2
[M]+	360.05795	165.6
[M]-	360.05905	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe