CID 7873

Tepp

Structural Information

Molecular Formula

C₈H₂₀O₇P₂

SMILES

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

InChI

InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3

InChIKey

IDCBOTIENDVCBQ-UHFFFAOYSA-N

Compound name

diethoxyphosphoryl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 87
References: 17649
Patents: 290.06842 Da
Monoisotopic Mass: 0.4
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]+	291.075696	166.2
[M+Na]+	313.057638	172.4
[M-H]-	289.061144	166.7
[M+NH4]+	308.102243	175.4
[M+K]+	329.031578	174.5
[M+H-H2O]+	273.065680	156.6
[M+HCOO]-	335.066621	193.6
[M+CH3COO]-	349.082271	200.8
[M+Na-2H]-	311.043086	169.3
[M]+	290.06787142	179.1
[M]-	290.06896858	179.1

Literature stripe

literature stripe

Patent stripe

patents stripe