CID 12684

Tetraethyl isohypophosphate

Structural Information

Molecular Formula

C₈H₂₀O₆P₂

SMILES

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

InChI

InChI=1S/C8H20O6P2/c1-5-10-15(11-6-2)14-16(9,12-7-3)13-8-4/h5-8H2,1-4H3

InChIKey

CFQUMKJJLXSKET-UHFFFAOYSA-N

Compound name

diethoxyphosphanyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 359
Patents: 274.07352 Da
Monoisotopic Mass: 1.0
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]+	275.08080	161.8
[M+Na]+	297.06274	167.9
[M+NH4]+	292.10734	165.6
[M+K]+	313.03668	165.7
[M-H]-	273.06624	157.2
[M+Na-2H]-	295.04819	161.2
[M]+	274.07297	160.7
[M]-	274.07407	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe