CID 92207482

2445749-50-6

Structural Information

Molecular Formula
C12H14F3N
SMILES
C[C@H]1C[C@H](NC1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H14F3N/c1-8-6-11(16-7-8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3/t8-,11-/m0/s1
InChIKey
PQNWKBAYDBUQAL-KWQFWETISA-N
Compound name
(2S,4S)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
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 156.1
[M+Na]+ 252.09705 164.6
[M+NH4]+ 247.14165 162.1
[M+K]+ 268.07099 160.3
[M-H]- 228.10055 154.1
[M+Na-2H]- 250.08250 159.9
[M]+ 229.10728 156.4
[M]- 229.10838 156.4
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.