CID 2762153

(3s,4r)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H12F3NO2
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-2-7(4-8)9-5-16-6-10(9)11(17)18/h1-4,9-10,16H,5-6H2,(H,17,18)/t9-,10+/m0/s1
InChIKey
UMJACUAPLJFIAQ-VHSXEESVSA-N
Compound name
(3S,4R)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

259.082 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08928 160.9
[M+Na]+ 282.07122 167.6
[M+NH4]+ 277.11582 165.1
[M+K]+ 298.04516 165.3
[M-H]- 258.07472 157.0
[M+Na-2H]- 280.05667 162.9
[M]+ 259.08145 160.2
[M]- 259.08255 160.2
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

patents stripe