CID 15814

Bis(ethoxythiocarbonyl) tetrasulfide

Structural Information

Molecular Formula

C₆H₁₀O₂S₆

SMILES

CCOC(=S)SSSSC(=S)OCC

InChI

InChI=1S/C6H10O2S6/c1-3-7-5(9)11-13-14-12-6(10)8-4-2/h3-4H2,1-2H3

InChIKey

AEQAMCGEBHCRLA-UHFFFAOYSA-N

Compound name

O-ethyl (ethoxycarbothioyltetrasulfanyl)methanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 305.9005 Da
Monoisotopic Mass: 4.1
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]+	306.90778	176.9
[M+Na]+	328.88972	180.6
[M-H]-	304.89322	170.9
[M+NH4]+	323.93432	187.3
[M+K]+	344.86366	166.6
[M+H-H2O]+	288.89776	168.9
[M+HCOO]-	350.89870	162.6
[M+CH3COO]-	364.91435	203.7
[M+Na-2H]-	326.87517	174.8
[M]+	305.89995	168.1
[M]-	305.90105	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe