CID 237575

1703-23-7

Structural Information

Molecular Formula

C₈H₁₂Cl₂N₂O₂

SMILES

C1CN(CCN1C(=O)CCl)C(=O)CCl

InChI

InChI=1S/C8H12Cl2N2O2/c9-5-7(13)11-1-2-12(4-3-11)8(14)6-10/h1-6H2

InChIKey

QYHXZQGNMLVJPX-UHFFFAOYSA-N

Compound name

2-chloro-1-[4-(2-chloroacetyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 48
Patents: 238.02759 Da
Monoisotopic Mass: 0.2
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]+	239.03487	147.2
[M+Na]+	261.01681	158.3
[M+NH4]+	256.06141	154.1
[M+K]+	276.99075	152.7
[M-H]-	237.02031	146.3
[M+Na-2H]-	259.00226	150.7
[M]+	238.02704	148.7
[M]-	238.02814	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe