CID 132846

148700-85-0

Structural Information

Molecular Formula
C20H19F6NO
SMILES
C1C[C@@H]([C@@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1
InChIKey
FCDRFVCGMLUYPG-ROUUACIJSA-N
Compound name
(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

255
Patents

403.1371 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14438 193.4
[M+Na]+ 426.12632 198.8
[M+NH4]+ 421.17092 195.3
[M+K]+ 442.10026 193.5
[M-H]- 402.12982 189.2
[M+Na-2H]- 424.11177 195.3
[M]+ 403.13655 192.6
[M]- 403.13765 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe