CID 105656

Dimethyl 9-oxo-9h-fluorene-2,6-dicarboxylate

Structural Information

Molecular Formula
C17H12O5
SMILES
COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=CC(=C3)C(=O)OC
InChI
InChI=1S/C17H12O5/c1-21-16(19)9-4-6-12-13(7-9)11-5-3-10(17(20)22-2)8-14(11)15(12)18/h3-8H,1-2H3
InChIKey
QOPVBVXFXFHNSO-UHFFFAOYSA-N
Compound name
dimethyl 9-oxofluorene-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

296.06848 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 164.1
[M+Na]+ 319.05770 176.9
[M+NH4]+ 314.10230 171.5
[M+K]+ 335.03164 173.1
[M-H]- 295.06120 165.3
[M+Na-2H]- 317.04315 167.8
[M]+ 296.06793 166.1
[M]- 296.06903 166.1
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

patents stripe