CID 121604266

1934789-60-2

Structural Information

Molecular Formula
C19H16FNO4
SMILES
C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(C(=O)O)F
InChI
InChI=1S/C19H16FNO4/c20-19(17(22)23)10-21(11-19)18(24)25-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,22,23)
InChIKey
IJTNKSBPPIQONE-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoroazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.10632 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11360 178.8
[M+Na]+ 364.09554 185.3
[M-H]- 340.09904 183.3
[M+NH4]+ 359.14014 189.2
[M+K]+ 380.06948 184.0
[M+H-H2O]+ 324.10358 165.8
[M+HCOO]- 386.10452 193.6
[M+CH3COO]- 400.12017 210.2
[M+Na-2H]- 362.08099 180.1
[M]+ 341.10577 188.0
[M]- 341.10687 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

No patent data available for this compound.