CID 3049035

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

Structural Information

Molecular Formula
C15H20F3N
SMILES
CC(C)N1CCCC(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H20F3N/c1-11(2)19-8-4-6-13(10-19)12-5-3-7-14(9-12)15(16,17)18/h3,5,7,9,11,13H,4,6,8,10H2,1-2H3
InChIKey
GXWQJOUHTZUDAZ-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.1548 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16208 162.5
[M+Na]+ 294.14402 167.9
[M-H]- 270.14752 163.0
[M+NH4]+ 289.18862 177.3
[M+K]+ 310.11796 163.8
[M+H-H2O]+ 254.15206 152.1
[M+HCOO]- 316.15300 175.0
[M+CH3COO]- 330.16865 199.7
[M+Na-2H]- 292.12947 163.2
[M]+ 271.15425 154.2
[M]- 271.15535 154.2
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