CID 33746822

914082-67-0

Structural Information

Molecular Formula
C23H20F3NO4
SMILES
C1C2(CC1(C2)C(F)(F)F)[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H20F3NO4/c24-23(25,26)22-10-21(11-22,12-22)18(19(28)29)27-20(30)31-9-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,27,30)(H,28,29)/t18-,21?,22?/m1/s1
InChIKey
SGSMDMJQEGMXNE-OSFYOIPJSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13443 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.141706 224.8
[M+Na]+ 454.123648 225.2
[M-H]- 430.127154 226.4
[M+NH4]+ 449.168253 223.8
[M+K]+ 470.097588 228.9
[M+H-H2O]+ 414.131690 206.4
[M+HCOO]- 476.132631 228.5
[M+CH3COO]- 490.148281 242.7
[M+Na-2H]- 452.109096 223.4
[M]+ 431.13388142 246.3
[M]- 431.13497858 246.3
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.