CID 70207030

168544-93-2

Structural Information

Molecular Formula
C14H14F3NO4
SMILES
C1[C@H]([C@@H](CN1C(=O)OCC2=CC=CC=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H14F3NO4/c15-14(16,17)11-7-18(6-10(11)12(19)20)13(21)22-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,19,20)/t10-,11-/m1/s1
InChIKey
WDJUIDGTBHLIJM-GHMZBOCLSA-N
Compound name
(3S,4S)-1-phenylmethoxycarbonyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

317.0875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09478 174.0
[M+Na]+ 340.07672 179.6
[M+NH4]+ 335.12132 176.8
[M+K]+ 356.05066 178.3
[M-H]- 316.08022 169.2
[M+Na-2H]- 338.06217 174.8
[M]+ 317.08695 172.7
[M]- 317.08805 172.7
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