CID 44314387

1-[2-(3,4-dichlorophenyl)ethyl]piperazine

Structural Information

Molecular Formula
C12H16Cl2N2
SMILES
C1CN(CCN1)CCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H16Cl2N2/c13-11-2-1-10(9-12(11)14)3-6-16-7-4-15-5-8-16/h1-2,9,15H,3-8H2
InChIKey
OWINIGBJQWGIJU-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dichlorophenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

258.06906 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07634 156.5
[M+Na]+ 281.05828 171.2
[M+NH4]+ 276.10288 165.6
[M+K]+ 297.03222 162.1
[M-H]- 257.06178 159.8
[M+Na-2H]- 279.04373 164.1
[M]+ 258.06851 160.1
[M]- 258.06961 160.1
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