CID 44570124

Chembl445981

Structural Information

Molecular Formula

C₆H₁₄Cl₂NO₃P

SMILES

CCOP(=O)(CC(C)(C)N(Cl)Cl)O

InChI

InChI=1S/C6H14Cl2NO3P/c1-4-12-13(10,11)5-6(2,3)9(7)8/h4-5H2,1-3H3,(H,10,11)

InChIKey

MMTOQBLVTZSXCR-UHFFFAOYSA-N

Compound name

[2-(dichloroamino)-2-methylpropyl]-ethoxyphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 249.00883 Da
Monoisotopic Mass: -1.7
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]+	250.01611	150.2
[M+Na]+	271.99805	158.3
[M-H]-	248.00155	149.7
[M+NH4]+	267.04265	169.4
[M+K]+	287.97199	155.9
[M+H-H2O]+	232.00609	145.8
[M+HCOO]-	294.00703	167.6
[M+CH3COO]-	308.02268	194.0
[M+Na-2H]-	269.98350	153.9
[M]+	249.00828	157.1
[M]-	249.00938	157.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.