CID 3298365

302912-29-4

Structural Information

Molecular Formula
C14H9F3O
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(F)(F)F
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13(18)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
WNFQLFHIGJVKMU-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2-phenylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

250.06055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06783 150.9
[M+Na]+ 273.04977 159.2
[M-H]- 249.05327 153.9
[M+NH4]+ 268.09437 167.7
[M+K]+ 289.02371 154.7
[M+H-H2O]+ 233.05781 141.4
[M+HCOO]- 295.05875 169.9
[M+CH3COO]- 309.07440 193.1
[M+Na-2H]- 271.03522 155.9
[M]+ 250.06000 146.5
[M]- 250.06110 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