CID 150999

O,s,s-triethyl phosphorodithioate

Structural Information

Molecular Formula

C₆H₁₅O₂PS₂

SMILES

CCOP(=O)(SCC)SCC

InChI

InChI=1S/C6H15O2PS2/c1-4-8-9(7,10-5-2)11-6-3/h4-6H2,1-3H3

InChIKey

MKNAVGOWTFZJBQ-UHFFFAOYSA-N

Compound name

1-bis(ethylsulfanyl)phosphoryloxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 71
Patents: 214.02512 Da
Monoisotopic Mass: 2.5
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]+	215.03240	142.2
[M+Na]+	237.01434	149.0
[M-H]-	213.01784	141.2
[M+NH4]+	232.05894	162.1
[M+K]+	252.98828	146.6
[M+H-H2O]+	197.02238	134.4
[M+HCOO]-	259.02332	159.6
[M+CH3COO]-	273.03897	186.3
[M+Na-2H]-	234.99979	140.8
[M]+	214.02457	148.8
[M]-	214.02567	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe