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 193.8
[M+Na]+ 430.12365 198.6
[M-H]- 406.12715 193.3
[M+NH4]+ 425.16825 206.9
[M+K]+ 446.09759 194.6
[M+H-H2O]+ 390.13169 184.9
[M+HCOO]- 452.13263 206.4
[M+CH3COO]- 466.14828 223.7
[M+Na-2H]- 428.10910 192.9
[M]+ 407.13388 192.2
[M]- 407.13498 192.2
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

patents stripe