CID 61659

Difurfuryl sulfide

Structural Information

Molecular Formula

C₁₀H₁₀O₂S

SMILES

C1=COC(=C1)CSCC2=CC=CO2

InChI

InChI=1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2

InChIKey

UYLKDZXJEKFFHJ-UHFFFAOYSA-N

Compound name

2-(furan-2-ylmethylsulfanylmethyl)furan

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 561
Patents: 194.04015 Da
Monoisotopic Mass: 2.1
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]+	195.04743	138.9
[M+Na]+	217.02937	149.4
[M-H]-	193.03287	148.2
[M+NH4]+	212.07397	160.2
[M+K]+	233.00331	149.3
[M+H-H2O]+	177.03741	134.6
[M+HCOO]-	239.03835	161.6
[M+CH3COO]-	253.05400	154.5
[M+Na-2H]-	215.01482	143.2
[M]+	194.03960	146.1
[M]-	194.04070	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe