CID 88830

3,5-bis(trifluoromethyl)benzophenone

Structural Information

Molecular Formula

C₁₅H₈F₆O

SMILES

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

InChI

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

InChIKey

QETSMUIBVUASOJ-UHFFFAOYSA-N

Compound name

[3,5-bis(trifluoromethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
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]+	319.05522	178.4
[M+Na]+	341.03716	184.7
[M+NH4]+	336.08176	180.7
[M+K]+	357.01110	179.7
[M-H]-	317.04066	173.4
[M+Na-2H]-	339.02261	180.7
[M]+	318.04739	177.6
[M]-	318.04849	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe