CID 597263

1-(3-chlorophenyl)-4-(2,4-dichlorobenzoyl)piperazine

Structural Information

Molecular Formula
C17H15Cl3N2O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H15Cl3N2O/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17(23)15-5-4-13(19)11-16(15)20/h1-5,10-11H,6-9H2
InChIKey
VMKLWYVDWIXNDK-UHFFFAOYSA-N
Compound name
[4-(3-chlorophenyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.025 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03228 179.6
[M+Na]+ 391.01422 187.6
[M-H]- 367.01772 183.7
[M+NH4]+ 386.05882 190.3
[M+K]+ 406.98816 180.1
[M+H-H2O]+ 351.02226 170.3
[M+HCOO]- 413.02320 181.3
[M+CH3COO]- 427.03885 187.9
[M+Na-2H]- 388.99967 179.0
[M]+ 368.02445 179.1
[M]- 368.02555 179.1
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

No patent data available for this compound.