CID 3043327

Piperidine, 1,1'-((2,3,5,6-tetrachloro-1,4-phenylene)bis(methylene))bis-, dihydrochloride

Structural Information

Molecular Formula
C18H24Cl4N2
SMILES
C1CCN(CC1)CC2=C(C(=C(C(=C2Cl)Cl)CN3CCCCC3)Cl)Cl
InChI
InChI=1S/C18H24Cl4N2/c19-15-13(11-23-7-3-1-4-8-23)16(20)18(22)14(17(15)21)12-24-9-5-2-6-10-24/h1-12H2
InChIKey
OKSZJAJVXUFWAY-UHFFFAOYSA-N
Compound name
1-[[2,3,5,6-tetrachloro-4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.06937 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07665 192.8
[M+Na]+ 431.05859 207.6
[M+NH4]+ 426.10319 201.3
[M+K]+ 447.03253 196.8
[M-H]- 407.06209 197.3
[M+Na-2H]- 429.04404 198.9
[M]+ 408.06882 197.3
[M]- 408.06992 197.3
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.