CID 26369038

Fluorescein dipropionate

Structural Information

Molecular Formula
C26H20O7
SMILES
CCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CC)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C26H20O7/c1-3-23(27)30-15-9-11-19-21(13-15)32-22-14-16(31-24(28)4-2)10-12-20(22)26(19)18-8-6-5-7-17(18)25(29)33-26/h5-14H,3-4H2,1-2H3
InChIKey
NXIABCNYUKDBQI-UHFFFAOYSA-N
Compound name
(3-oxo-6'-propanoyloxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

444.1209 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.12818 203.8
[M+Na]+ 467.11012 212.3
[M-H]- 443.11362 213.6
[M+NH4]+ 462.15472 216.8
[M+K]+ 483.08406 211.0
[M+H-H2O]+ 427.11816 195.2
[M+HCOO]- 489.11910 218.2
[M+CH3COO]- 503.13475 213.7
[M+Na-2H]- 465.09557 206.9
[M]+ 444.12035 211.3
[M]- 444.12145 211.3
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

patents stripe