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

333
Patents

318.04794 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05522 164.5
[M+Na]+ 341.03716 174.0
[M-H]- 317.04066 163.9
[M+NH4]+ 336.08176 178.7
[M+K]+ 357.01110 168.5
[M+H-H2O]+ 301.04520 152.6
[M+HCOO]- 363.04614 178.2
[M+CH3COO]- 377.06179 205.5
[M+Na-2H]- 339.02261 167.1
[M]+ 318.04739 156.5
[M]- 318.04849 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe