CID 145913576

2377031-39-3

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(C(=O)O)F
InChI
InChI=1S/C21H20FNO4/c22-19(20(24)25)9-13-10-23(11-13)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,24,25)
InChIKey
FRRXKVJTXFUECY-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13763 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 186.8
[M+Na]+ 392.12685 190.8
[M-H]- 368.13035 190.5
[M+NH4]+ 387.17145 193.8
[M+K]+ 408.10079 189.8
[M+H-H2O]+ 352.13489 172.7
[M+HCOO]- 414.13583 199.9
[M+CH3COO]- 428.15148 217.2
[M+Na-2H]- 390.11230 184.8
[M]+ 369.13708 195.6
[M]- 369.13818 195.6
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.