CID 5344028

304896-59-1

Structural Information

Molecular Formula
C20H12F4O2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H12F4O2/c21-16-6-4-13(5-7-16)18(25)10-8-17-9-11-19(26-17)14-2-1-3-15(12-14)20(22,23)24/h1-12H/b10-8+
InChIKey
SSNPOJBUAOCACY-CSKARUKUSA-N
Compound name
(E)-1-(4-fluorophenyl)-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

360.07733 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08461 189.5
[M+Na]+ 383.06655 199.3
[M+NH4]+ 378.11115 193.5
[M+K]+ 399.04049 193.9
[M-H]- 359.07005 189.2
[M+Na-2H]- 381.05200 193.9
[M]+ 360.07678 190.6
[M]- 360.07788 190.6
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

No patent data available for this compound.