CID 5495946

(z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-(2-furyl)-3-hydroxy-prop-2-en-1-one

Structural Information

Molecular Formula
C18H13FO4
SMILES
C1=COC(=C1)C(=O)/C=C(/C2=CC=C(O2)CC3=CC=C(C=C3)F)\O
InChI
InChI=1S/C18H13FO4/c19-13-5-3-12(4-6-13)10-14-7-8-18(23-14)16(21)11-15(20)17-2-1-9-22-17/h1-9,11,21H,10H2/b16-11-
InChIKey
MWUVZUSBHFWWIF-WJDWOHSUSA-N
Compound name
(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.07977 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08705 169.9
[M+Na]+ 335.06899 178.2
[M-H]- 311.07249 179.5
[M+NH4]+ 330.11359 184.3
[M+K]+ 351.04293 176.0
[M+H-H2O]+ 295.07703 163.0
[M+HCOO]- 357.07797 192.1
[M+CH3COO]- 371.09362 200.2
[M+Na-2H]- 333.05444 170.6
[M]+ 312.07922 173.1
[M]- 312.08032 173.1
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.