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

6
Annotation Hits: 0
References: 27
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]+	229.085916	146.3
[M+Na]+	251.067858	156.1
[M-H]-	227.071364	159.2
[M+NH4]+	246.112463	165.5
[M+K]+	267.041798	157.0
[M+H-H2O]+	211.075900	142.6
[M+HCOO]-	273.076841	173.5
[M+CH3COO]-	287.092491	162.0
[M+Na-2H]-	249.053306	151.4
[M]+	228.07809142	153.4
[M]-	228.07918858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe