CID 86964

17135-49-8

Structural Information

Molecular Formula

C₁₆H₁₄F₂O

SMILES

C1=CC(=CC=C1CCCC(=O)C2=CC=C(C=C2)F)F

InChI

InChI=1S/C16H14F2O/c17-14-8-4-12(5-9-14)2-1-3-16(19)13-6-10-15(18)11-7-13/h4-11H,1-3H2

InChIKey

MWVYAXLUWZOOLT-UHFFFAOYSA-N

Compound name

1,4-bis(4-fluorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.10126 Da
Monoisotopic Mass: 4.1
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]+	261.10854	156.9
[M+Na]+	283.09048	164.6
[M-H]-	259.09398	160.9
[M+NH4]+	278.13508	173.5
[M+K]+	299.06442	159.7
[M+H-H2O]+	243.09852	147.6
[M+HCOO]-	305.09946	177.9
[M+CH3COO]-	319.11511	197.7
[M+Na-2H]-	281.07593	160.0
[M]+	260.10071	155.3
[M]-	260.10181	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe