CID 3078951

Acetic acid, 2,2'-((9-oxo-9h-fluorene-2,7-diyl)bis(oxy))bis-, dimethyl ester

Structural Information

Molecular Formula
C19H16O7
SMILES
COC(=O)COC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCC(=O)OC
InChI
InChI=1S/C19H16O7/c1-23-17(20)9-25-11-3-5-13-14-6-4-12(26-10-18(21)24-2)8-16(14)19(22)15(13)7-11/h3-8H,9-10H2,1-2H3
InChIKey
OBVJUCWEFZAXKP-UHFFFAOYSA-N
Compound name
methyl 2-[7-(2-methoxy-2-oxoethoxy)-9-oxofluoren-2-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0896 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.096876 178.3
[M+Na]+ 379.078818 186.7
[M-H]- 355.082324 184.1
[M+NH4]+ 374.123423 194.9
[M+K]+ 395.052758 185.1
[M+H-H2O]+ 339.086860 171.6
[M+HCOO]- 401.087801 199.5
[M+CH3COO]- 415.103451 213.8
[M+Na-2H]- 377.064266 180.5
[M]+ 356.08905142 188.0
[M]- 356.09014858 188.0
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

No patent data available for this compound.