CID 426899

73790-71-3

Structural Information

Molecular Formula
C13H15Cl4N
SMILES
C1CCN(CC1)C(C2=CC=CC=C2Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C13H15Cl4N/c14-11-7-3-2-6-10(11)12(13(15,16)17)18-8-4-1-5-9-18/h2-3,6-7,12H,1,4-5,8-9H2
InChIKey
DYOFOGDRKYPWPI-UHFFFAOYSA-N
Compound name
1-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.99585 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00313 169.1
[M+Na]+ 347.98507 174.7
[M-H]- 323.98857 169.5
[M+NH4]+ 343.02967 182.3
[M+K]+ 363.95901 168.4
[M+H-H2O]+ 307.99311 163.0
[M+HCOO]- 369.99405 164.9
[M+CH3COO]- 384.00970 203.5
[M+Na-2H]- 345.97052 169.4
[M]+ 324.99530 166.0
[M]- 324.99640 166.0
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.