CID 121604418

1935998-33-6

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C1CN(CCC1(C(=O)O)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H20FNO4/c22-21(19(24)25)9-11-23(12-10-21)20(26)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,24,25)
InChIKey
RHADDDYKEYHRJC-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 187.0
[M+Na]+ 392.12685 193.0
[M-H]- 368.13035 190.8
[M+NH4]+ 387.17145 202.3
[M+K]+ 408.10079 187.9
[M+H-H2O]+ 352.13489 177.8
[M+HCOO]- 414.13583 199.9
[M+CH3COO]- 428.15148 195.6
[M+Na-2H]- 390.11230 187.3
[M]+ 369.13708 184.4
[M]- 369.13818 184.4
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.