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

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

literature stripe

Patent stripe

patents stripe