CID 283500

1186-10-3

Structural Information

Molecular Formula

C₇H₁₆BrO₃P

SMILES

CCOP(=O)(CCCBr)OCC

InChI

InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3

InChIKey

PEIKTSJIUKYDPC-UHFFFAOYSA-N

Compound name

1-bromo-3-diethoxyphosphorylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 683
Patents: 258.00204 Da
Monoisotopic Mass: 1.3
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]+	259.00932	151.7
[M+Na]+	280.99126	151.7
[M+NH4]+	276.03586	154.6
[M+K]+	296.96520	152.8
[M-H]-	256.99476	148.4
[M+Na-2H]-	278.97671	151.1
[M]+	258.00149	149.3
[M]-	258.00259	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe