CID 164839

S,s,s-triethyl phosphorotrithioate

Structural Information

Molecular Formula

C₆H₁₅OPS₃

SMILES

CCSP(=O)(SCC)SCC

InChI

InChI=1S/C6H15OPS3/c1-4-9-8(7,10-5-2)11-6-3/h4-6H2,1-3H3

InChIKey

QFMPBAKJJSEBRR-UHFFFAOYSA-N

Compound name

1-bis(ethylsulfanyl)phosphorylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.00226 Da
Monoisotopic Mass: 1.8
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]+	231.009536	142.4
[M+Na]+	252.991478	148.8
[M-H]-	228.994984	140.7
[M+NH4]+	248.036083	161.1
[M+K]+	268.965418	143.9
[M+H-H2O]+	212.999520	134.0
[M+HCOO]-	275.000461	153.5
[M+CH3COO]-	289.016111	190.1
[M+Na-2H]-	250.976926	139.5
[M]+	230.00171142	146.1
[M]-	230.00280858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe