CID 3049037

N-benzyl-3-(m-trifluoromethylphenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C19H20F3N
SMILES
C1CC(CN(C1)CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C19H20F3N/c20-19(21,22)18-10-4-8-16(12-18)17-9-5-11-23(14-17)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2
InChIKey
JCWIIBHQRXFNGB-UHFFFAOYSA-N
Compound name
1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

319.1548 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16208 175.3
[M+Na]+ 342.14402 180.6
[M-H]- 318.14752 178.4
[M+NH4]+ 337.18862 187.5
[M+K]+ 358.11796 174.1
[M+H-H2O]+ 302.15206 162.9
[M+HCOO]- 364.15300 188.7
[M+CH3COO]- 378.16865 206.6
[M+Na-2H]- 340.12947 177.2
[M]+ 319.15425 166.5
[M]- 319.15535 166.5
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