CID 239285

500347-73-9

Structural Information

Molecular Formula

C₁₂H₂₈O₉P₂

SMILES

CCOP(=O)(OCC)OCCOCCOP(=O)(OCC)OCC

InChI

InChI=1S/C12H28O9P2/c1-5-16-22(13,17-6-2)20-11-9-15-10-12-21-23(14,18-7-3)19-8-4/h5-12H2,1-4H3

InChIKey

CJAGHBDQWWLWAX-UHFFFAOYSA-N

Compound name

2-(2-diethoxyphosphoryloxyethoxy)ethyl diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 378.12085 Da
Monoisotopic Mass: 0.1
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]+	379.128126	194.1
[M+Na]+	401.110068	197.7
[M-H]-	377.113574	190.5
[M+NH4]+	396.154673	200.7
[M+K]+	417.084008	189.1
[M+H-H2O]+	361.118110	180.0
[M+HCOO]-	423.119051	215.9
[M+CH3COO]-	437.134701	216.8
[M+Na-2H]-	399.095516	180.7
[M]+	378.12030142	195.0
[M]-	378.12139858	195.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe