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 144.6
[M+Na]+ 239.04787 153.1
[M-H]- 215.05137 151.0
[M+NH4]+ 234.09247 163.5
[M+K]+ 255.02181 150.5
[M+H-H2O]+ 199.05591 137.5
[M+HCOO]- 261.05685 168.1
[M+CH3COO]- 275.07250 185.3
[M+Na-2H]- 237.03332 149.1
[M]+ 216.05810 144.9
[M]- 216.05920 144.9
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.