CID 146082105

2408938-51-0

Structural Information

Molecular Formula
C21H18F3NO5
SMILES
C1[C@@H](CN([C@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(F)(F)F
InChI
InChI=1S/C21H18F3NO5/c22-21(23,24)30-12-9-18(19(26)27)25(10-12)20(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,26,27)/t12-,18+/m0/s1
InChIKey
WAYBBIGVHFJNQP-KPZWWZAWSA-N
Compound name
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethoxy)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1137 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12098 195.6
[M+Na]+ 444.10292 202.3
[M-H]- 420.10642 197.9
[M+NH4]+ 439.14752 209.0
[M+K]+ 460.07686 198.0
[M+H-H2O]+ 404.11096 186.7
[M+HCOO]- 466.11190 207.3
[M+CH3COO]- 480.12755 220.9
[M+Na-2H]- 442.08837 193.0
[M]+ 421.11315 194.4
[M]- 421.11425 194.4
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.