CID 70972

Furan, 2,2'-methylenebis-

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

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

InChI

InChI=1S/C9H8O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2

InChIKey

YHGNXEIQSHICNK-UHFFFAOYSA-N

Compound name

2-(furan-2-ylmethyl)furan

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 404
Patents: 148.05243 Da
Monoisotopic Mass: 2.0
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]+	149.05971	125.3
[M+Na]+	171.04165	135.1
[M-H]-	147.04515	134.0
[M+NH4]+	166.08625	147.4
[M+K]+	187.01559	135.8
[M+H-H2O]+	131.04969	120.7
[M+HCOO]-	193.05063	152.8
[M+CH3COO]-	207.06628	141.7
[M+Na-2H]-	169.02710	133.8
[M]+	148.05188	129.7
[M]-	148.05298	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe