CID 137951524

2219379-92-5

Structural Information

Molecular Formula
C22H21F2NO5
SMILES
C1CN(CCC1(C(C(=O)O)(F)F)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H21F2NO5/c23-22(24,19(26)27)21(29)9-11-25(12-10-21)20(28)30-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18,29H,9-13H2,(H,26,27)
InChIKey
UFDDQXPDFOBZQF-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypiperidin-4-yl]-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1388 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.14608 197.1
[M+Na]+ 440.12802 202.4
[M-H]- 416.13152 198.3
[M+NH4]+ 435.17262 209.7
[M+K]+ 456.10196 197.5
[M+H-H2O]+ 400.13606 188.0
[M+HCOO]- 462.13700 205.7
[M+CH3COO]- 476.15265 218.4
[M+Na-2H]- 438.11347 197.7
[M]+ 417.13825 193.2
[M]- 417.13935 193.2
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

No patent data available for this compound.