CID 121604249

1993316-66-7

Structural Information

Molecular Formula
C21H19F2NO4
SMILES
C1CN(CC(C1(F)F)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H19F2NO4/c22-21(23)9-10-24(11-18(21)19(25)26)20(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,25,26)
InChIKey
IHKVFHMXVPJUGD-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-difluoropiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1282 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13548 190.0
[M+Na]+ 410.11742 197.0
[M-H]- 386.12092 192.9
[M+NH4]+ 405.16202 204.9
[M+K]+ 426.09136 191.5
[M+H-H2O]+ 370.12546 180.2
[M+HCOO]- 432.12640 201.9
[M+CH3COO]- 446.14205 216.3
[M+Na-2H]- 408.10287 189.1
[M]+ 387.12765 186.9
[M]- 387.12875 186.9
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.