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 193.9
[M+Na]+ 431.05859 198.7
[M-H]- 407.06209 194.7
[M+NH4]+ 426.10319 202.7
[M+K]+ 447.03253 191.3
[M+H-H2O]+ 391.06663 184.3
[M+HCOO]- 453.06757 186.2
[M+CH3COO]- 467.08322 198.9
[M+Na-2H]- 429.04404 188.5
[M]+ 408.06882 188.9
[M]- 408.06992 188.9
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.