CID 63710509

1340420-16-7

Structural Information

Molecular Formula
C21H18F3NO4
SMILES
C1CN(CC1(C(=O)O)C(F)(F)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H18F3NO4/c22-21(23,24)20(18(26)27)9-10-25(12-20)19(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,26,27)
InChIKey
XTFHJHPZSXAUBS-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1188 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12608 193.9
[M+Na]+ 428.10802 201.3
[M-H]- 404.11152 196.2
[M+NH4]+ 423.15262 209.9
[M+K]+ 444.08196 196.1
[M+H-H2O]+ 388.11606 185.2
[M+HCOO]- 450.11700 205.6
[M+CH3COO]- 464.13265 216.9
[M+Na-2H]- 426.09347 192.8
[M]+ 405.11825 191.2
[M]- 405.11935 191.2
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.