CID 11230272

4-(3-trifluoromethyl-benzyl)-piperidine

Structural Information

Molecular Formula
C13H16F3N
SMILES
C1CNCCC1CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C13H16F3N/c14-13(15,16)12-3-1-2-11(9-12)8-10-4-6-17-7-5-10/h1-3,9-10,17H,4-8H2
InChIKey
PZWXUYUFCRMWPP-UHFFFAOYSA-N
Compound name
4-[[3-(trifluoromethyl)phenyl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

243.12349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.130766 154.0
[M+Na]+ 266.112708 159.2
[M-H]- 242.116214 153.0
[M+NH4]+ 261.157313 169.0
[M+K]+ 282.086648 154.1
[M+H-H2O]+ 226.120750 144.0
[M+HCOO]- 288.121691 166.8
[M+CH3COO]- 302.137341 189.1
[M+Na-2H]- 264.098156 157.2
[M]+ 243.12294142 143.5
[M]- 243.12403858 143.5
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