CID 11116636

Diethyl (oxiran-2-yl)phosphonate

Structural Information

Molecular Formula

C₆H₁₃O₄P

SMILES

CCOP(=O)(C1CO1)OCC

InChI

InChI=1S/C6H13O4P/c1-3-9-11(7,10-4-2)6-5-8-6/h6H,3-5H2,1-2H3

InChIKey

UUCSJRADVBQCCV-UHFFFAOYSA-N

Compound name

2-diethoxyphosphoryloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 180.05515 Da
Monoisotopic Mass: 0.0
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]+	181.06243	141.7
[M+Na]+	203.04437	151.0
[M-H]-	179.04787	146.0
[M+NH4]+	198.08897	156.4
[M+K]+	219.01831	151.6
[M+H-H2O]+	163.05241	133.8
[M+HCOO]-	225.05335	169.1
[M+CH3COO]-	239.06900	183.3
[M+Na-2H]-	201.02982	147.3
[M]+	180.05460	150.8
[M]-	180.05570	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe