CID 58717

101670-72-8

Structural Information

Molecular Formula

C₇H₁₄Cl₂NO

SMILES

C1C[N+](OC1)(CCCl)CCCl

InChI

InChI=1S/C7H14Cl2NO/c8-2-5-10(6-3-9)4-1-7-11-10/h1-7H2/q+1

InChIKey

PKFHCHMEKXBANJ-UHFFFAOYSA-N

Compound name

2,2-bis(2-chloroethyl)-1,2-oxazolidin-2-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.04524 Da
Monoisotopic Mass: 1.6
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]+	199.05252	136.8
[M+Na]+	221.03446	150.5
[M+NH4]+	216.07906	148.3
[M+K]+	237.00840	143.8
[M-H]-	197.03796	140.5
[M+Na-2H]-	219.01991	143.8
[M]+	198.04469	140.8
[M]-	198.04579	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.