CID 70446

Tetraethyl ethylenediphosphonate

Structural Information

Molecular Formula

C₁₀H₂₄O₆P₂

SMILES

CCOP(=O)(CCP(=O)(OCC)OCC)OCC

InChI

InChI=1S/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3

InChIKey

RSQYXXACEZCDFS-UHFFFAOYSA-N

Compound name

1,2-bis(diethoxyphosphoryl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 302.1048 Da
Monoisotopic Mass: 0.2
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]+	303.11208	174.5
[M+Na]+	325.09402	180.1
[M-H]-	301.09752	169.2
[M+NH4]+	320.13862	178.6
[M+K]+	341.06796	181.1
[M+H-H2O]+	285.10206	164.8
[M+HCOO]-	347.10300	196.8
[M+CH3COO]-	361.11865	204.6
[M+Na-2H]-	323.07947	176.1
[M]+	302.10425	186.8
[M]-	302.10535	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe