CID 5346032

4'-fluoro-3,4-(methylenedioxy)chalcone

Structural Information

Molecular Formula
C16H11FO3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11FO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2/b7-1+
InChIKey
HDSDUHZGXYSYKW-LREOWRDNSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

270.0692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.076476 158.7
[M+Na]+ 293.058418 167.3
[M-H]- 269.061924 166.5
[M+NH4]+ 288.103023 175.0
[M+K]+ 309.032358 165.0
[M+H-H2O]+ 253.066460 151.4
[M+HCOO]- 315.067401 178.7
[M+CH3COO]- 329.083051 171.5
[M+Na-2H]- 291.043866 163.3
[M]+ 270.06865142 159.8
[M]- 270.06974858 159.8
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.