CID 4658327

2-(2-chloroacetamido)ethyl 2-chloroacetate

Structural Information

Molecular Formula

C₆H₉Cl₂NO₃

SMILES

C(COC(=O)CCl)NC(=O)CCl

InChI

InChI=1S/C6H9Cl2NO3/c7-3-5(10)9-1-2-12-6(11)4-8/h1-4H2,(H,9,10)

InChIKey

DYAQEUGTXSANCX-UHFFFAOYSA-N

Compound name

2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.99594 Da
Monoisotopic Mass: 0.7
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]+	214.00322	140.2
[M+Na]+	235.98516	148.0
[M-H]-	211.98866	140.1
[M+NH4]+	231.02976	159.9
[M+K]+	251.95910	144.9
[M+H-H2O]+	195.99320	137.2
[M+HCOO]-	257.99414	154.8
[M+CH3COO]-	272.00979	185.0
[M+Na-2H]-	233.97061	144.0
[M]+	212.99539	145.0
[M]-	212.99649	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe