CID 18682

O,o-diethyl s-methyl dithiophosphate

Structural Information

Molecular Formula

C₅H₁₃O₂PS₂

SMILES

CCOP(=S)(OCC)SC

InChI

InChI=1S/C5H13O2PS2/c1-4-6-8(9,10-3)7-5-2/h4-5H2,1-3H3

InChIKey

MXSZXPYMTRBCQT-UHFFFAOYSA-N

Compound name

diethoxy-methylsulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 36
Patents: 200.00946 Da
Monoisotopic Mass: 2.4
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]+	201.016736	137.8
[M+Na]+	222.998678	145.0
[M-H]-	199.002184	137.0
[M+NH4]+	218.043283	158.2
[M+K]+	238.972618	142.9
[M+H-H2O]+	183.006720	130.2
[M+HCOO]-	245.007661	155.5
[M+CH3COO]-	259.023311	183.4
[M+Na-2H]-	220.984126	136.8
[M]+	200.00891142	144.0
[M]-	200.01000858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe