CID 132351086

2138337-54-7

Structural Information

Molecular Formula
C22H20F3NO4
SMILES
C1[C@H](CN(C[C@H]1C(F)(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C22H20F3NO4/c23-22(24,25)14-9-13(20(27)28)10-26(11-14)21(29)30-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19H,9-12H2,(H,27,28)/t13-,14+/m1/s1
InChIKey
BWLBMHNTWZKWGX-KGLIPLIRSA-N
Compound name
(3R,5S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-(trifluoromethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.13443 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14171 197.5
[M+Na]+ 442.12365 203.2
[M-H]- 418.12715 198.7
[M+NH4]+ 437.16825 208.9
[M+K]+ 458.09759 197.7
[M+H-H2O]+ 402.13169 187.0
[M+HCOO]- 464.13263 206.3
[M+CH3COO]- 478.14828 222.2
[M+Na-2H]- 440.10910 195.5
[M]+ 419.13388 192.6
[M]- 419.13498 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.