CID 53423642

2,4-difurfurylfuran

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

C1=COC(=C1)CC2=CC(=CO2)CC3=CC=CO3

InChI

InChI=1S/C14H12O3/c1-3-12(15-5-1)7-11-8-14(17-10-11)9-13-4-2-6-16-13/h1-6,8,10H,7,9H2

InChIKey

MLLNFQCJOXJITQ-UHFFFAOYSA-N

Compound name

2,4-bis(furan-2-ylmethyl)furan

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 30
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	146.3
[M+Na]+	251.06786	156.1
[M-H]-	227.07136	159.2
[M+NH4]+	246.11246	165.5
[M+K]+	267.04180	157.0
[M+H-H2O]+	211.07590	142.6
[M+HCOO]-	273.07684	173.5
[M+CH3COO]-	287.09249	162.0
[M+Na-2H]-	249.05331	151.4
[M]+	228.07809	153.4
[M]-	228.07919	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe