CID 214723

O-ethyl s-ethylthiomethyl methylphosphonothiolate

Structural Information

Molecular Formula

C₆H₁₅O₂PS₂

SMILES

CCOP(=O)(C)SCSCC

InChI

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

InChIKey

HFUVROQADZNLMZ-UHFFFAOYSA-N

Compound name

1-[ethylsulfanylmethylsulfanyl(methyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.02512 Da
Monoisotopic Mass: 1.6
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]+	215.032396	142.2
[M+Na]+	237.014338	149.0
[M-H]-	213.017844	141.2
[M+NH4]+	232.058943	162.1
[M+K]+	252.988278	146.6
[M+H-H2O]+	197.022380	134.4
[M+HCOO]-	259.023321	159.6
[M+CH3COO]-	273.038971	186.3
[M+Na-2H]-	234.999786	140.8
[M]+	214.02457142	148.8
[M]-	214.02566858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.