CID 3311497

Diethyl bromophosphonate

Structural Information

Molecular Formula

C₄H₁₀BrO₃P

SMILES

CCOP(=O)(OCC)Br

InChI

InChI=1S/C4H10BrO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

InChIKey

SBPUMPCKAMRWQN-UHFFFAOYSA-N

Compound name

1-[bromo(ethoxy)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 145
Patents: 215.9551 Da
Monoisotopic Mass: 1.2
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]+	216.962376	146.4
[M+Na]+	238.944318	158.1
[M-H]-	214.947824	148.7
[M+NH4]+	233.988923	169.2
[M+K]+	254.918258	149.1
[M+H-H2O]+	198.952360	145.2
[M+HCOO]-	260.953301	172.1
[M+CH3COO]-	274.968951	184.0
[M+Na-2H]-	236.929766	152.0
[M]+	215.95455142	169.6
[M]-	215.95564858	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe