CID 16841

Diethyl trithiocarbonate

Structural Information

Molecular Formula

C₅H₁₀S₃

SMILES

CCSC(=S)SCC

InChI

InChI=1S/C5H10S3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

InChIKey

NRQCYLXIKLRTQE-UHFFFAOYSA-N

Compound name

bis(ethylsulfanyl)methanethione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 133
Patents: 165.99446 Da
Monoisotopic Mass: 2.9
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]+	167.001736	129.5
[M+Na]+	188.983678	136.8
[M-H]-	164.987184	129.2
[M+NH4]+	184.028283	150.2
[M+K]+	204.957618	132.0
[M+H-H2O]+	148.991720	124.3
[M+HCOO]-	210.992661	134.7
[M+CH3COO]-	225.008311	178.1
[M+Na-2H]-	186.969126	128.0
[M]+	165.99391142	130.6
[M]-	165.99500858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe