CID 13696850

28845-75-2

Structural Information

Molecular Formula

C₈H₁₅Br₂O₅P

SMILES

CCOC(=O)C(P(=O)(OCC)OCC)(Br)Br

InChI

InChI=1S/C8H15Br2O5P/c1-4-13-7(11)8(9,10)16(12,14-5-2)15-6-3/h4-6H2,1-3H3

InChIKey

XKZDOIGWQFLTMZ-UHFFFAOYSA-N

Compound name

ethyl 2,2-dibromo-2-diethoxyphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 379.9024 Da
Monoisotopic Mass: 2.1
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]+	380.90968	176.7
[M+Na]+	402.89162	186.3
[M-H]-	378.89512	179.5
[M+NH4]+	397.93622	193.4
[M+K]+	418.86556	171.5
[M+H-H2O]+	362.89966	181.9
[M+HCOO]-	424.90060	193.1
[M+CH3COO]-	438.91625	213.4
[M+Na-2H]-	400.87707	179.7
[M]+	379.90185	215.3
[M]-	379.90295	215.3

Literature stripe

literature stripe

Patent stripe

patents stripe