CID 237575

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

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

49
Patents

238.02759 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03487 147.1
[M+Na]+ 261.01681 153.9
[M-H]- 237.02031 146.5
[M+NH4]+ 256.06141 163.1
[M+K]+ 276.99075 150.2
[M+H-H2O]+ 221.02485 141.2
[M+HCOO]- 283.02579 154.2
[M+CH3COO]- 297.04144 187.1
[M+Na-2H]- 259.00226 148.7
[M]+ 238.02704 146.6
[M]- 238.02814 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe