CID 21268288

4-(4-(trifluoromethoxy)phenyl)piperidine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
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 152.8
[M+Na]+ 268.09197 158.3
[M-H]- 244.09547 151.9
[M+NH4]+ 263.13657 167.6
[M+K]+ 284.06591 154.0
[M+H-H2O]+ 228.10001 142.7
[M+HCOO]- 290.10095 166.0
[M+CH3COO]- 304.11660 188.1
[M+Na-2H]- 266.07742 156.5
[M]+ 245.10220 143.3
[M]- 245.10330 143.3
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