CID 10976066

1,1'-thiobis(2,3-epithiopropane)

Structural Information

Molecular Formula

C₆H₁₀S₃

SMILES

C1C(S1)CSCC2CS2

InChI

InChI=1S/C6H10S3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2

InChIKey

MLGITEWCALEOOJ-UHFFFAOYSA-N

Compound name

2-(thiiran-2-ylmethylsulfanylmethyl)thiirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1584
Patents: 177.99446 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]+	179.001736	126.2
[M+Na]+	200.983678	132.6
[M-H]-	176.987184	131.7
[M+NH4]+	196.028283	135.1
[M+K]+	216.957618	129.8
[M+H-H2O]+	160.991720	119.3
[M+HCOO]-	222.992661	132.9
[M+CH3COO]-	237.008311	135.8
[M+Na-2H]-	198.969126	126.2
[M]+	177.99391142	129.7
[M]-	177.99500858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe