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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.08592	149.7
[M+Na]+	251.06786	157.6
[M-H]-	227.07136	157.3
[M+NH4]+	246.11246	168.0
[M+K]+	267.04180	155.8
[M+H-H2O]+	211.07590	143.2
[M+HCOO]-	273.07684	174.1
[M+CH3COO]-	287.09249	187.7
[M+Na-2H]-	249.05331	154.3
[M]+	228.07809	152.8
[M]-	228.07919	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe