CID 69766

3-(trifluoromethyl)benzophenone

Structural Information

Molecular Formula

C₁₄H₉F₃O

SMILES

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

InChI

InChI=1S/C14H9F3O/c15-14(16,17)12-8-4-7-11(9-12)13(18)10-5-2-1-3-6-10/h1-9H

InChIKey

IOXDAYKKVHAKSX-UHFFFAOYSA-N

Compound name

phenyl-[3-(trifluoromethyl)phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 250.06055 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]+	251.06783	158.0
[M+Na]+	273.04977	169.3
[M+NH4]+	268.09437	164.4
[M+K]+	289.02371	162.6
[M-H]-	249.05327	157.5
[M+Na-2H]-	271.03522	165.1
[M]+	250.06000	159.4
[M]-	250.06110	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe