CID 5184407

885950-04-9

Structural Information

Molecular Formula
C17H18Cl2N2
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H18Cl2N2/c18-15-10-14(11-16(19)12-15)17(13-4-2-1-3-5-13)21-8-6-20-7-9-21/h1-5,10-12,17,20H,6-9H2
InChIKey
NKUCMZXLDJSIKD-UHFFFAOYSA-N
Compound name
1-[(3,5-dichlorophenyl)-phenylmethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

320.08472 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09200 171.9
[M+Na]+ 343.07394 177.6
[M-H]- 319.07744 175.2
[M+NH4]+ 338.11854 183.2
[M+K]+ 359.04788 169.4
[M+H-H2O]+ 303.08198 162.3
[M+HCOO]- 365.08292 177.2
[M+CH3COO]- 379.09857 180.2
[M+Na-2H]- 341.05939 173.4
[M]+ 320.08417 167.8
[M]- 320.08527 167.8
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

patents stripe