CID 115317

67292-64-2

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₂P

SMILES

C1COP(N(C1O)CCCl)NCCCl

InChI

InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14-11(5-3-9)7(12)1-6-13-14/h7,10,12H,1-6H2

InChIKey

KBAQLVNTAURQRP-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-2-(2-chloroethylamino)-1,3,2-oxazaphosphinan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.0248 Da
Monoisotopic Mass: 0.8
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]+	261.032076	155.8
[M+Na]+	283.014018	162.0
[M-H]-	259.017524	154.9
[M+NH4]+	278.058623	171.0
[M+K]+	298.987958	158.6
[M+H-H2O]+	243.022060	148.5
[M+HCOO]-	305.023001	169.7
[M+CH3COO]-	319.038651	193.1
[M+Na-2H]-	280.999466	156.3
[M]+	260.02425142	156.9
[M]-	260.02534858	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.