CID 21268288

1004618-85-2

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

121
Patents

245.10275 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.110026 152.8
[M+Na]+ 268.091968 158.3
[M-H]- 244.095474 151.9
[M+NH4]+ 263.136573 167.6
[M+K]+ 284.065908 154.0
[M+H-H2O]+ 228.100010 142.7
[M+HCOO]- 290.100951 166.0
[M+CH3COO]- 304.116601 188.1
[M+Na-2H]- 266.077416 156.5
[M]+ 245.10220142 143.3
[M]- 245.10329858 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