CID 155820079

91154-38-0

Structural Information

Molecular Formula

C₅H₁₀BrO₃P

SMILES

COC(=O)C(P(=O)(C)C)Br

InChI

InChI=1S/C5H10BrO3P/c1-9-5(7)4(6)10(2,3)8/h4H,1-3H3

InChIKey

CYFBGWSEMUNBDV-UHFFFAOYSA-N

Compound name

methyl 2-bromo-2-dimethylphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.9551 Da
Monoisotopic Mass: 0.2
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]+	228.96238	149.4
[M+Na]+	250.94432	160.6
[M-H]-	226.94782	151.7
[M+NH4]+	245.98892	171.6
[M+K]+	266.91826	151.6
[M+H-H2O]+	210.95236	148.2
[M+HCOO]-	272.95330	173.1
[M+CH3COO]-	286.96895	186.7
[M+Na-2H]-	248.92977	152.2
[M]+	227.95455	171.0
[M]-	227.95565	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.