CID 146049055

2383930-94-5

Structural Information

Molecular Formula
C22H20FNO4
SMILES
C1CN(CCC1=C(C(=O)O)F)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H20FNO4/c23-20(21(25)26)14-9-11-24(12-10-14)22(27)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-13H2,(H,25,26)
InChIKey
QXBBPDYDDGWAHY-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-ylidene]-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.13763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14491 189.3
[M+Na]+ 404.12685 193.6
[M-H]- 380.13035 192.7
[M+NH4]+ 399.17145 201.8
[M+K]+ 420.10079 188.3
[M+H-H2O]+ 364.13489 180.0
[M+HCOO]- 426.13583 201.1
[M+CH3COO]- 440.15148 215.4
[M+Na-2H]- 402.11230 187.0
[M]+ 381.13708 185.3
[M]- 381.13818 185.3
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.