CID 5727293

304896-45-5

Structural Information

Molecular Formula
C20H13F3O2
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C20H13F3O2/c21-20(22,23)16-8-4-7-15(13-16)19-12-10-17(25-19)9-11-18(24)14-5-2-1-3-6-14/h1-13H/b11-9+
InChIKey
POCLWPPQQDHDFL-PKNBQFBNSA-N
Compound name
(E)-1-phenyl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.08676 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09404 177.3
[M+Na]+ 365.07598 185.6
[M-H]- 341.07948 184.1
[M+NH4]+ 360.12058 190.7
[M+K]+ 381.04992 180.4
[M+H-H2O]+ 325.08402 167.1
[M+HCOO]- 387.08496 195.9
[M+CH3COO]- 401.10061 208.5
[M+Na-2H]- 363.06143 178.9
[M]+ 342.08621 175.0
[M]- 342.08731 175.0
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

No patent data available for this compound.