CID 1268245

Difurfurylideneacetone

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

C1=COC(=C1)/C=C/C(=O)/C=C/C2=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/b7-5+,8-6+

InChIKey

XOOFLVNFEPIPIW-KQQUZDAGSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 487
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]+	215.07027	146.6
[M+Na]+	237.05221	155.3
[M-H]-	213.05571	155.0
[M+NH4]+	232.09681	165.8
[M+K]+	253.02615	154.2
[M+H-H2O]+	197.06025	141.4
[M+HCOO]-	259.06119	172.6
[M+CH3COO]-	273.07684	182.4
[M+Na-2H]-	235.03766	151.5
[M]+	214.06244	150.9
[M]-	214.06354	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe