CID 96442

63886-53-3

Structural Information

Molecular Formula

C₈H₂₀O₅P₂

SMILES

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

InChI

InChI=1S/C8H20O5P2/c1-5-11-15(10,12-6-2)13-14(9,7-3)8-4/h5-8H2,1-4H3

InChIKey

XRESZUDRGQQLFF-UHFFFAOYSA-N

Compound name

diethylphosphoryl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.07858 Da
Monoisotopic Mass: 0.3
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]+	259.08586	163.0
[M+Na]+	281.06780	169.7
[M-H]-	257.07130	160.9
[M+NH4]+	276.11240	181.2
[M+K]+	297.04174	170.5
[M+H-H2O]+	241.07584	153.9
[M+HCOO]-	303.07678	194.7
[M+CH3COO]-	317.09243	196.6
[M+Na-2H]-	279.05325	165.2
[M]+	258.07803	173.2
[M]-	258.07913	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe