CID 162677503

Chembl4802227

Structural Information

Molecular Formula

C₈H₁₇Cl₂N₂O₂P

SMILES

C1C[N+]1(CCCl)P(=O)([N+]2(CC2)CCCl)O

InChI

InChI=1S/C8H16Cl2N2O2P/c9-1-3-11(5-6-11)15(13,14)12(4-2-10)7-8-12/h1-8H2/q+1/p+1

InChIKey

RLEWPJCSHPMUBB-UHFFFAOYSA-O

Compound name

bis[1-(2-chloroethyl)aziridin-1-ium-1-yl]phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.04047 Da
Monoisotopic Mass: 0.1
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]+	275.047746	137.7
[M+Na]+	297.029688	144.3
[M-H]-	273.033194	139.4
[M+NH4]+	292.074293	144.7
[M+K]+	313.003628	134.4
[M+H-H2O]+	257.037730	137.6
[M+HCOO]-	319.038671	148.6
[M+CH3COO]-	333.054321	191.9
[M+Na-2H]-	295.015136	146.6
[M]+	274.03992142	141.1
[M]-	274.04101858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.