CID 137951765

2193066-84-9

Structural Information

Molecular Formula
C25H20FNO4
SMILES
C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)(C5=CC=C(C=C5)C(=O)O)F
InChI
InChI=1S/C25H20FNO4/c26-25(17-11-9-16(10-12-17)23(28)29)14-27(15-25)24(30)31-13-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,28,29)
InChIKey
VQQKTEHXKCEMHV-UHFFFAOYSA-N
Compound name
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoroazetidin-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.13763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.14491 200.3
[M+Na]+ 440.12685 206.2
[M-H]- 416.13035 207.6
[M+NH4]+ 435.17145 207.2
[M+K]+ 456.10079 203.6
[M+H-H2O]+ 400.13489 185.1
[M+HCOO]- 462.13583 214.2
[M+CH3COO]- 476.15148 208.3
[M+Na-2H]- 438.11230 199.7
[M]+ 417.13708 209.1
[M]- 417.13818 209.1
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.