CID 44891037

Fmoc-5,5,5-trifluoro-dl-leucine

Structural Information

Molecular Formula
C21H20F3NO4
SMILES
CC(CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(F)(F)F
InChI
InChI=1S/C21H20F3NO4/c1-12(21(22,23)24)10-18(19(26)27)25-20(28)29-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18H,10-11H2,1H3,(H,25,28)(H,26,27)
InChIKey
QITBKIGOBMSJBN-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5,5-trifluoro-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

407.13443 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14171 190.7
[M+Na]+ 430.12365 195.8
[M+NH4]+ 425.16825 193.8
[M+K]+ 446.09759 194.0
[M-H]- 406.12715 186.2
[M+Na-2H]- 428.10910 190.2
[M]+ 407.13388 189.5
[M]- 407.13498 189.5
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

patents stripe