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]+ 370.144906 186.8
[M+Na]+ 392.126848 190.8
[M-H]- 368.130354 190.5
[M+NH4]+ 387.171453 193.8
[M+K]+ 408.100788 189.8
[M+H-H2O]+ 352.134890 172.7
[M+HCOO]- 414.135831 199.9
[M+CH3COO]- 428.151481 217.2
[M+Na-2H]- 390.112296 184.8
[M]+ 369.13708142 195.6
[M]- 369.13817858 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.