CID 121009968

2-phenyl-2-(trifluoromethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C12H14F3N
SMILES
C1CCNC(C1)(C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H14F3N/c13-12(14,15)11(8-4-5-9-16-11)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2
InChIKey
TWACTHFZHFUYMY-UHFFFAOYSA-N
Compound name
2-phenyl-2-(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.10783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11511 150.2
[M+Na]+ 252.09705 155.8
[M-H]- 228.10055 149.3
[M+NH4]+ 247.14165 167.5
[M+K]+ 268.07099 151.3
[M+H-H2O]+ 212.10509 140.6
[M+HCOO]- 274.10603 163.3
[M+CH3COO]- 288.12168 184.6
[M+Na-2H]- 250.08250 155.6
[M]+ 229.10728 139.2
[M]- 229.10838 139.2
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

No patent data available for this compound.