CID 44570125

Chembl510307

Structural Information

Molecular Formula

C₄H₁₀Cl₂NO₃P

SMILES

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

InChI

InChI=1S/C4H10Cl2NO3P/c1-4(2,7(5)6)3-11(8,9)10/h3H2,1-2H3,(H2,8,9,10)

InChIKey

CYFMUBLAZFGEMP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 220.97754 Da
Monoisotopic Mass: -2.6
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]+	221.98482	141.3
[M+Na]+	243.96676	149.8
[M-H]-	219.97026	139.7
[M+NH4]+	239.01136	160.9
[M+K]+	259.94070	147.0
[M+H-H2O]+	203.97480	137.6
[M+HCOO]-	265.97574	157.9
[M+CH3COO]-	279.99139	185.5
[M+Na-2H]-	241.95221	145.5
[M]+	220.97699	145.5
[M]-	220.97809	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe