CID 31154

22358-18-5

Structural Information

Molecular Formula

C₇H₁₂Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C7H12Cl2N2O2/c8-4-6(12)10-2-1-3-11-7(13)5-9/h1-5H2,(H,10,12)(H,11,13)

InChIKey

VNPHYBXISGDJBH-UHFFFAOYSA-N

Compound name

2-chloro-N-[3-[(2-chloroacetyl)amino]propyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 226.02759 Da
Monoisotopic Mass: 0.5
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]+	227.03487	146.2
[M+Na]+	249.01681	154.7
[M+NH4]+	244.06141	152.7
[M+K]+	264.99075	149.4
[M-H]-	225.02031	145.0
[M+Na-2H]-	247.00226	148.6
[M]+	226.02704	147.1
[M]-	226.02814	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe