CID 2736883

Diethyl [dibromo(fluoro)methyl]phosphonate

Structural Information

Molecular Formula

C₅H₁₀Br₂FO₃P

SMILES

CCOP(=O)(C(F)(Br)Br)OCC

InChI

InChI=1S/C5H10Br2FO3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3

InChIKey

YHSLFRSDIFMOBR-UHFFFAOYSA-N

Compound name

1-[[dibromo(fluoro)methyl]-ethoxyphosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 325.87183 Da
Monoisotopic Mass: 2.2
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]+	326.87911	167.1
[M+Na]+	348.86105	178.0
[M-H]-	324.86455	169.3
[M+NH4]+	343.90565	185.6
[M+K]+	364.83499	162.7
[M+H-H2O]+	308.86909	172.4
[M+HCOO]-	370.87003	183.8
[M+CH3COO]-	384.88568	206.3
[M+Na-2H]-	346.84650	171.2
[M]+	325.87128	202.9
[M]-	325.87238	202.9

Literature stripe

literature stripe

Patent stripe

patents stripe