CID 120260

470-85-9

Structural Information

Molecular Formula

C₆H₁₆O₆P₂S

SMILES

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

InChI

InChI=1S/C6H16O6P2S/c1-5-10-13(7,11-6-2)12-14(15,8-3)9-4/h5-6H2,1-4H3

InChIKey

CEPNZRUYLKPMKD-UHFFFAOYSA-N

Compound name

dimethoxyphosphinothioyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.01428 Da
Monoisotopic Mass: 1.4
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]+	279.02156	158.0
[M+Na]+	301.00350	163.7
[M+NH4]+	296.04810	162.0
[M+K]+	316.97744	160.5
[M-H]-	277.00700	152.9
[M+Na-2H]-	298.98895	157.4
[M]+	278.01373	157.3
[M]-	278.01483	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.