CID 22849768

144207-42-1

Structural Information

Molecular Formula
C20H18F3NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCC(F)(F)F)C(=O)O
InChI
InChI=1S/C20H18F3NO4/c21-20(22,23)10-9-17(18(25)26)24-19(27)28-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKey
KMHCZJHUIDEERF-QGZVFWFLSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5,5-trifluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

393.1188 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12608 189.3
[M+Na]+ 416.10802 194.8
[M-H]- 392.11152 188.9
[M+NH4]+ 411.15262 203.0
[M+K]+ 432.08196 190.4
[M+H-H2O]+ 376.11606 180.3
[M+HCOO]- 438.11700 203.3
[M+CH3COO]- 452.13265 219.8
[M+Na-2H]- 414.09347 190.0
[M]+ 393.11825 188.0
[M]- 393.11935 188.0
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