CID 20499

Difurfuryl disulfide

Structural Information

Molecular Formula

C₁₀H₁₀O₂S₂

SMILES

C1=COC(=C1)CSSCC2=CC=CO2

InChI

InChI=1S/C10H10O2S2/c1-3-9(11-5-1)7-13-14-8-10-4-2-6-12-10/h1-6H,7-8H2

InChIKey

CBJPZHSWLMJQRI-UHFFFAOYSA-N

Compound name

2-[(furan-2-ylmethyldisulfanyl)methyl]furan

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 8
References: 988
Patents: 226.01222 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]+	227.01950	145.9
[M+Na]+	249.00144	157.3
[M-H]-	225.00494	155.3
[M+NH4]+	244.04604	166.5
[M+K]+	264.97538	156.1
[M+H-H2O]+	209.00948	142.1
[M+HCOO]-	271.01042	163.6
[M+CH3COO]-	285.02607	160.9
[M+Na-2H]-	246.98689	147.9
[M]+	226.01167	154.0
[M]-	226.01277	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe