CID 3075694

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

Structural Information

Molecular Formula
C17H14Cl4N2O
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl4N2O/c18-11-1-3-13(15(20)9-11)17(24)23-7-5-22(6-8-23)12-2-4-14(19)16(21)10-12/h1-4,9-10H,5-8H2
InChIKey
RUCIQRAZHIRAHO-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.98602 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.99330 184.5
[M+Na]+ 424.97524 192.7
[M-H]- 400.97874 186.9
[M+NH4]+ 420.01984 193.8
[M+K]+ 440.94918 185.5
[M+H-H2O]+ 384.98328 175.7
[M+HCOO]- 446.98422 180.8
[M+CH3COO]- 460.99987 191.6
[M+Na-2H]- 422.96069 182.0
[M]+ 401.98547 183.8
[M]- 401.98657 183.8
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.