CID 3051113

67292-62-0

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₂P

SMILES

C1COP(NC1O)N(CCCl)CCCl

InChI

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

InChIKey

UGYXAZPJFUKXSM-UHFFFAOYSA-N

Compound name

2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	155.6
[M+Na]+	283.014018	160.7
[M-H]-	259.017524	154.4
[M+NH4]+	278.058623	170.5
[M+K]+	298.987958	157.7
[M+H-H2O]+	243.022060	148.2
[M+HCOO]-	305.023001	168.6
[M+CH3COO]-	319.038651	192.8
[M+Na-2H]-	280.999466	155.6
[M]+	260.02425142	155.8
[M]-	260.02534858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe