CID 57402

Bis(2,3-epithiopropyl)disulfide

Structural Information

Molecular Formula

C₆H₁₀S₄

SMILES

C1C(S1)CSSCC2CS2

InChI

InChI=1S/C6H10S4/c1-5(7-1)3-9-10-4-6-2-8-6/h5-6H,1-4H2

InChIKey

JRKRMWWBDZSDMT-UHFFFAOYSA-N

Compound name

2-[(thiiran-2-ylmethyldisulfanyl)methyl]thiirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1756
Patents: 209.96654 Da
Monoisotopic Mass: 1.9
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]+	210.97382	128.6
[M+Na]+	232.95576	134.1
[M-H]-	208.95926	132.4
[M+NH4]+	228.00036	135.8
[M+K]+	248.92970	129.5
[M+H-H2O]+	192.96380	121.3
[M+HCOO]-	254.96474	130.0
[M+CH3COO]-	268.98039	136.6
[M+Na-2H]-	230.94121	128.2
[M]+	209.96599	129.9
[M]-	209.96709	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe