CID 132351009

2138366-89-7

Structural Information

Molecular Formula
C23H22F3NO5
SMILES
C1CN(CCC1(C(=O)O)OCC(F)(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H22F3NO5/c24-23(25,26)14-32-22(20(28)29)9-11-27(12-10-22)21(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,28,29)
InChIKey
PMQGKDNFYOKYBE-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(2,2,2-trifluoroethoxy)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.14502 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15230 205.2
[M+Na]+ 472.13424 210.6
[M-H]- 448.13774 206.1
[M+NH4]+ 467.17884 217.1
[M+K]+ 488.10818 205.8
[M+H-H2O]+ 432.14228 194.5
[M+HCOO]- 494.14322 213.8
[M+CH3COO]- 508.15887 225.4
[M+Na-2H]- 470.11969 204.9
[M]+ 449.14447 202.1
[M]- 449.14557 202.1
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.