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

11
Patents

243.12349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13077 154.0
[M+Na]+ 266.11271 159.2
[M-H]- 242.11621 153.0
[M+NH4]+ 261.15731 169.0
[M+K]+ 282.08665 154.1
[M+H-H2O]+ 226.12075 144.0
[M+HCOO]- 288.12169 166.8
[M+CH3COO]- 302.13734 189.1
[M+Na-2H]- 264.09816 157.2
[M]+ 243.12294 143.5
[M]- 243.12404 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