CID 5924870

(2e)-1-(furan-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C14H12O3
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CO2
InChI
InChI=1S/C14H12O3/c1-16-12-7-4-11(5-8-12)6-9-13(15)14-3-2-10-17-14/h2-10H,1H3/b9-6+
InChIKey
QZZMZWWBSNSOIY-RMKNXTFCSA-N
Compound name
(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

228.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 150.4
[M+Na]+ 251.06786 163.4
[M+NH4]+ 246.11246 158.2
[M+K]+ 267.04180 158.7
[M-H]- 227.07136 154.7
[M+Na-2H]- 249.05331 157.5
[M]+ 228.07809 153.4
[M]- 228.07919 153.4
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

patents stripe