CID 10053287

Bl ii

Structural Information

Molecular Formula
C28H22O12
SMILES
CC(=O)OC1=C(C=C2C(=C1)C3=C(O2)C(=C(C(=C3OC(=O)C)OC(=O)C)C4=CC=C(C=C4)O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C28H22O12/c1-12(29)35-21-10-19-20(11-22(21)36-13(2)30)40-28-24(19)27(39-16(5)33)25(37-14(3)31)23(26(28)38-15(4)32)17-6-8-18(34)9-7-17/h6-11,34H,1-5H3
InChIKey
BKYOIMKDXAUYEQ-UHFFFAOYSA-N
Compound name
[3,6,8,9-tetraacetyloxy-7-(4-hydroxyphenyl)dibenzofuran-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

550.11115 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.11843 220.7
[M+Na]+ 573.10037 227.4
[M-H]- 549.10387 229.9
[M+NH4]+ 568.14497 226.5
[M+K]+ 589.07431 230.7
[M+H-H2O]+ 533.10841 212.6
[M+HCOO]- 595.10935 236.5
[M+CH3COO]- 609.12500 251.2
[M+Na-2H]- 571.08582 217.5
[M]+ 550.11060 236.0
[M]- 550.11170 236.0
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