CID 71587703

Fema no. 4320

Structural Information

Molecular Formula

C₇H₁₀OS₃

SMILES

CC1=C(C=CO1)SSCSC

InChI

InChI=1S/C7H10OS3/c1-6-7(3-4-8-6)11-10-5-9-2/h3-4H,5H2,1-2H3

InChIKey

WQZZYRQOADSWHJ-UHFFFAOYSA-N

Compound name

2-methyl-3-(methylsulfanylmethyldisulfanyl)furan

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 32
Patents: 205.98938 Da
Monoisotopic Mass: 2.7
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]+	206.99666	138.6
[M+Na]+	228.97860	148.6
[M-H]-	204.98210	142.9
[M+NH4]+	224.02320	159.1
[M+K]+	244.95254	144.7
[M+H-H2O]+	188.98664	134.0
[M+HCOO]-	250.98758	147.2
[M+CH3COO]-	265.00323	183.3
[M+Na-2H]-	226.96405	138.3
[M]+	205.98883	143.0
[M]-	205.98993	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe