CID 79218

5324-30-1

Structural Information

Molecular Formula

C₆H₁₄BrO₃P

SMILES

CCOP(=O)(CCBr)OCC

InChI

InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3

InChIKey

PINITSMLVXAASM-UHFFFAOYSA-N

Compound name

1-bromo-2-diethoxyphosphorylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 682
Patents: 243.98639 Da
Monoisotopic Mass: 1.0
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]+	244.99367	156.0
[M+Na]+	266.97561	166.9
[M-H]-	242.97911	157.9
[M+NH4]+	262.02021	177.8
[M+K]+	282.94955	157.4
[M+H-H2O]+	226.98365	154.4
[M+HCOO]-	288.98459	181.1
[M+CH3COO]-	303.00024	189.7
[M+Na-2H]-	264.96106	160.5
[M]+	243.98584	179.9
[M]-	243.98694	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe