CID 131751612

Dtxsid401149059

Structural Information

Molecular Formula
C26H20O11
SMILES
CC(=O)OC1=C(C=C2C(=C1)OC3=C2C(=C(C(=C3OC(=O)C)C4=CC=C(C=C4)O)OC(=O)C)OC(=O)C)O
InChI
InChI=1S/C26H20O11/c1-11(27)33-20-10-19-17(9-18(20)32)22-25(36-14(4)30)23(34-12(2)28)21(15-5-7-16(31)8-6-15)24(26(22)37-19)35-13(3)29/h5-10,31-32H,1-4H3
InChIKey
AXELIAYKPOXUSU-UHFFFAOYSA-N
Compound name
[6,8,9-triacetyloxy-2-hydroxy-7-(4-hydroxyphenyl)dibenzofuran-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.10056 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.107836 212.4
[M+Na]+ 531.089778 220.1
[M-H]- 507.093284 220.6
[M+NH4]+ 526.134383 219.6
[M+K]+ 547.063718 221.8
[M+H-H2O]+ 491.097820 204.6
[M+HCOO]- 553.098761 228.1
[M+CH3COO]- 567.114411 241.7
[M+Na-2H]- 529.075226 210.3
[M]+ 508.10001142 225.3
[M]- 508.10110858 225.3
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

No patent data available for this compound.