CID 101348

7506-77-6

Structural Information

Molecular Formula

C₈H₂₀O₄P₂S

SMILES

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

InChI

InChI=1S/C8H20O4P2S/c1-5-10-14(15,11-6-2)12-13(9,7-3)8-4/h5-8H2,1-4H3

InChIKey

XKRGFDJRWYMTEH-UHFFFAOYSA-N

Compound name

diethylphosphoryloxy-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.05576 Da
Monoisotopic Mass: 2.1
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]+	275.06304	162.6
[M+Na]+	297.04498	168.8
[M-H]-	273.04848	160.6
[M+NH4]+	292.08958	180.6
[M+K]+	313.01892	168.1
[M+H-H2O]+	257.05302	152.7
[M+HCOO]-	319.05396	189.6
[M+CH3COO]-	333.06961	198.2
[M+Na-2H]-	295.03043	161.8
[M]+	274.05521	172.6
[M]-	274.05631	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe