CID 53407844

4-(3-(trifluoromethoxy)phenyl)piperidine

Structural Information

Molecular Formula
C12H14F3NO
SMILES
C1CNCCC1C2=CC(=CC=C2)OC(F)(F)F
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)17-11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7H2
InChIKey
GXYMHDWKGWKPOK-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethoxy)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

245.10275 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 157.8
[M+Na]+ 268.09197 166.4
[M+NH4]+ 263.13657 163.5
[M+K]+ 284.06591 160.6
[M-H]- 244.09547 155.9
[M+Na-2H]- 266.07742 162.3
[M]+ 245.10220 158.1
[M]- 245.10330 158.1
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