CID 13453

Difurfurylideneacetone

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

C1=COC(=C1)C=CC(=O)C=CC2=CC=CO2

InChI

InChI=1S/C13H10O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H

InChIKey

XOOFLVNFEPIPIW-UHFFFAOYSA-N

Compound name

1,5-bis(furan-2-yl)penta-1,4-dien-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 586
Patents: 214.06299 Da
Monoisotopic Mass: 2.5
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]+	215.070266	146.6
[M+Na]+	237.052208	155.3
[M-H]-	213.055714	155.0
[M+NH4]+	232.096813	165.8
[M+K]+	253.026148	154.2
[M+H-H2O]+	197.060250	141.4
[M+HCOO]-	259.061191	172.6
[M+CH3COO]-	273.076841	182.4
[M+Na-2H]-	235.037656	151.5
[M]+	214.06244142	150.9
[M]-	214.06353858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe