CID 108830

2-propanone, 1-phenyl-3-[3-(trifluoromethyl)phenyl]-

Structural Information

Molecular Formula
C16H13F3O
SMILES
C1=CC=C(C=C1)CC(=O)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C16H13F3O/c17-16(18,19)14-8-4-7-13(9-14)11-15(20)10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKey
MHBVFQPMQKODRK-UHFFFAOYSA-N
Compound name
1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

278.09186 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09914 160.5
[M+Na]+ 301.08108 167.9
[M-H]- 277.08458 163.0
[M+NH4]+ 296.12568 176.1
[M+K]+ 317.05502 162.9
[M+H-H2O]+ 261.08912 150.6
[M+HCOO]- 323.09006 178.8
[M+CH3COO]- 337.10571 199.1
[M+Na-2H]- 299.06653 164.3
[M]+ 278.09131 156.8
[M]- 278.09241 156.8
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