CID 146082383

2408971-05-9

Structural Information

Molecular Formula
C20H16FNO4
SMILES
C1C(=C(C(=O)O)F)CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H16FNO4/c21-18(19(23)24)12-9-22(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-11H2,(H,23,24)
InChIKey
YVSWETWVOGQVCJ-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-ylidene]-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.10632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11360 181.4
[M+Na]+ 376.09554 186.3
[M-H]- 352.09904 185.5
[M+NH4]+ 371.14014 189.1
[M+K]+ 392.06948 184.9
[M+H-H2O]+ 336.10358 167.7
[M+HCOO]- 398.10452 195.1
[M+CH3COO]- 412.12017 213.1
[M+Na-2H]- 374.08099 180.0
[M]+ 353.10577 189.2
[M]- 353.10687 189.2
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

No patent data available for this compound.