CID 5924870

19430-55-8

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]+ 229.085916 149.7
[M+Na]+ 251.067858 157.6
[M-H]- 227.071364 157.3
[M+NH4]+ 246.112463 168.0
[M+K]+ 267.041798 155.8
[M+H-H2O]+ 211.075900 143.2
[M+HCOO]- 273.076841 174.1
[M+CH3COO]- 287.092491 187.7
[M+Na-2H]- 249.053306 154.3
[M]+ 228.07809142 152.8
[M]- 228.07918858 152.8
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

patents stripe