CID 200396

Brn 0562661

Structural Information

Molecular Formula
C18H20Cl2N2O
SMILES
C1CN(CCN1CCOC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20Cl2N2O/c19-15-1-5-17(6-2-15)22-11-9-21(10-12-22)13-14-23-18-7-3-16(20)4-8-18/h1-8H,9-14H2
InChIKey
LWSXMCSWZFBZJT-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)ethyl]-4-(4-chlorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.09528 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10256 180.4
[M+Na]+ 373.08450 187.1
[M-H]- 349.08800 185.1
[M+NH4]+ 368.12910 191.5
[M+K]+ 389.05844 179.8
[M+H-H2O]+ 333.09254 170.0
[M+HCOO]- 395.09348 187.9
[M+CH3COO]- 409.10913 189.1
[M+Na-2H]- 371.06995 182.1
[M]+ 350.09473 180.7
[M]- 350.09583 180.7
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.