CID 275730

1-(4-fluorophenyl)-3-(2-furyl)-2-propen-1-one

Structural Information

Molecular Formula
C13H9FO2
SMILES
C1=COC(=C1)C=CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H9FO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H
InChIKey
BGWADTFLQQUACM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05865 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06593 148.2
[M+Na]+ 239.04787 160.9
[M+NH4]+ 234.09247 156.0
[M+K]+ 255.02181 155.8
[M-H]- 215.05137 151.4
[M+Na-2H]- 237.03332 155.1
[M]+ 216.05810 150.8
[M]- 216.05920 150.8
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

No patent data available for this compound.