CID 120239

8009 hc

Structural Information

Molecular Formula

C₆H₁₆O₅P₂S

SMILES

CCOP(OCC)OP(=S)(OC)OC

InChI

InChI=1S/C6H16O5P2S/c1-5-9-12(10-6-2)11-13(14,7-3)8-4/h5-6H2,1-4H3

InChIKey

LLMWOXIRKNXDPD-UHFFFAOYSA-N

Compound name

dimethoxyphosphinothioyl diethyl phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.01938 Da
Monoisotopic Mass: 2.0
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]+	263.02666	154.8
[M+Na]+	285.00860	160.6
[M-H]-	261.01210	152.8
[M+NH4]+	280.05320	173.0
[M+K]+	300.98254	161.7
[M+H-H2O]+	245.01664	144.5
[M+HCOO]-	307.01758	183.0
[M+CH3COO]-	321.03323	195.6
[M+Na-2H]-	282.99405	152.9
[M]+	262.01883	166.1
[M]-	262.01993	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.