CID 69529

Monothiono tepp

Structural Information

Molecular Formula

C₈H₂₀O₆P₂S

SMILES

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

InChI

InChI=1S/C8H20O6P2S/c1-5-10-15(9,11-6-2)14-16(17,12-7-3)13-8-4/h5-8H2,1-4H3

InChIKey

QPXWUAQRJLSJRT-UHFFFAOYSA-N

Compound name

diethoxyphosphinothioyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 387
Patents: 306.0456 Da
Monoisotopic Mass: 2.2
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]+	307.05288	166.9
[M+Na]+	329.03482	172.5
[M-H]-	305.03832	164.7
[M+NH4]+	324.07942	180.2
[M+K]+	345.00876	173.0
[M+H-H2O]+	289.04286	156.6
[M+HCOO]-	351.04380	198.5
[M+CH3COO]-	365.05945	202.3
[M+Na-2H]-	327.02027	167.1
[M]+	306.04505	179.6
[M]-	306.04615	179.6

Literature stripe

literature stripe

Patent stripe

patents stripe