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]+ 370.144906 187.0
[M+Na]+ 392.126848 193.0
[M-H]- 368.130354 190.8
[M+NH4]+ 387.171453 202.3
[M+K]+ 408.100788 187.9
[M+H-H2O]+ 352.134890 177.8
[M+HCOO]- 414.135831 199.9
[M+CH3COO]- 428.151481 195.6
[M+Na-2H]- 390.112296 187.3
[M]+ 369.13708142 184.4
[M]- 369.13817858 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.