CID 105656

Einecs 267-173-4

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]+ 297.075756 163.7
[M+Na]+ 319.057698 173.7
[M-H]- 295.061204 170.1
[M+NH4]+ 314.102303 183.2
[M+K]+ 335.031638 171.0
[M+H-H2O]+ 279.065740 157.9
[M+HCOO]- 341.066681 185.5
[M+CH3COO]- 355.082331 203.5
[M+Na-2H]- 317.043146 166.6
[M]+ 296.06793142 170.0
[M]- 296.06902858 170.0
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

patents stripe