CID 5727202

304896-51-3

Structural Information

Molecular Formula
C20H15FO2
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H15FO2/c1-14-2-4-15(5-3-14)19(22)12-10-18-11-13-20(23-18)16-6-8-17(21)9-7-16/h2-13H,1H3/b12-10+
InChIKey
VOSSWBSPKPJPLA-ZRDIBKRKSA-N
Compound name
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10562 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11290 171.1
[M+Na]+ 329.09484 179.7
[M-H]- 305.09834 180.7
[M+NH4]+ 324.13944 186.2
[M+K]+ 345.06878 174.9
[M+H-H2O]+ 289.10288 162.4
[M+HCOO]- 351.10382 193.4
[M+CH3COO]- 365.11947 204.6
[M+Na-2H]- 327.08029 172.3
[M]+ 306.10507 171.9
[M]- 306.10617 171.9
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.