CID 85496

16574-52-0

Structural Information

Molecular Formula

C₁₄H₈F₄O

SMILES

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

InChI

InChI=1S/C14H8F4O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8H

InChIKey

GYZZOEFAMMXSIK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 268.05112 Da
Monoisotopic Mass: 4.2
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]+	269.05840	153.6
[M+Na]+	291.04034	162.9
[M-H]-	267.04384	155.6
[M+NH4]+	286.08494	169.9
[M+K]+	307.01428	158.0
[M+H-H2O]+	251.04838	143.4
[M+HCOO]-	313.04932	171.5
[M+CH3COO]-	327.06497	197.1
[M+Na-2H]-	289.02579	157.3
[M]+	268.05057	148.4
[M]-	268.05167	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe