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]+ 297.07576 163.7
[M+Na]+ 319.05770 173.7
[M-H]- 295.06120 170.1
[M+NH4]+ 314.10230 183.2
[M+K]+ 335.03164 171.0
[M+H-H2O]+ 279.06574 157.9
[M+HCOO]- 341.06668 185.5
[M+CH3COO]- 355.08233 203.5
[M+Na-2H]- 317.04315 166.6
[M]+ 296.06793 170.0
[M]- 296.06903 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