CID 70512701

1,4-bis(3-chlorophenyl)piperazine

Structural Information

Molecular Formula
C16H16Cl2N2
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H16Cl2N2/c17-13-3-1-5-15(11-13)19-7-9-20(10-8-19)16-6-2-4-14(18)12-16/h1-6,11-12H,7-10H2
InChIKey
XHOCKWIJWIXZQZ-UHFFFAOYSA-N
Compound name
1,4-bis(3-chlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

306.06906 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07634 168.9
[M+Na]+ 329.05828 176.6
[M-H]- 305.06178 173.9
[M+NH4]+ 324.10288 181.8
[M+K]+ 345.03222 169.0
[M+H-H2O]+ 289.06632 159.1
[M+HCOO]- 351.06726 176.9
[M+CH3COO]- 365.08291 178.6
[M+Na-2H]- 327.04373 171.6
[M]+ 306.06851 167.1
[M]- 306.06961 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe