CID 599788

3,3'-bis(trifluoromethyl)benzophenone

Structural Information

Molecular Formula

C₁₅H₈F₆O

SMILES

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

InChI

InChI=1S/C15H8F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8H

InChIKey

POOXOHISLGOAEF-UHFFFAOYSA-N

Compound name

bis[3-(trifluoromethyl)phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 328
Patents: 318.04794 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]+	319.055216	164.5
[M+Na]+	341.037158	174.0
[M-H]-	317.040664	163.9
[M+NH4]+	336.081763	178.7
[M+K]+	357.011098	168.5
[M+H-H2O]+	301.045200	152.6
[M+HCOO]-	363.046141	178.2
[M+CH3COO]-	377.061791	205.5
[M+Na-2H]-	339.022606	167.1
[M]+	318.04739142	156.5
[M]-	318.04848858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe