CID 17490

2620-09-9

Structural Information

Molecular Formula

C₆H₁₀Cl₂N₂O₂

SMILES

C(CNC(=O)CCl)NC(=O)CCl

InChI

InChI=1S/C6H10Cl2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)

InChIKey

BQUBHNCENTUVMP-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 44
Patents: 212.01193 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]+	213.01921	141.8
[M+Na]+	235.00115	150.5
[M+NH4]+	230.04575	148.4
[M+K]+	250.97509	145.4
[M-H]-	211.00465	140.7
[M+Na-2H]-	232.98660	144.5
[M]+	212.01138	142.8
[M]-	212.01248	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe