CID 69767

4-(trifluoromethyl)benzophenone

Structural Information

Molecular Formula
C14H9F3O
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H
InChIKey
OHTYZZYAMUVKQS-UHFFFAOYSA-N
Compound name
phenyl-[4-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

329
Patents

250.06055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.067826 150.9
[M+Na]+ 273.049768 159.2
[M-H]- 249.053274 153.9
[M+NH4]+ 268.094373 167.7
[M+K]+ 289.023708 154.7
[M+H-H2O]+ 233.057810 141.4
[M+HCOO]- 295.058751 169.9
[M+CH3COO]- 309.074401 193.1
[M+Na-2H]- 271.035216 155.9
[M]+ 250.06000142 146.5
[M]- 250.06109858 146.5
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