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

129
Patents

550.11115 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.118426 220.7
[M+Na]+ 573.100368 227.4
[M-H]- 549.103874 229.9
[M+NH4]+ 568.144973 226.5
[M+K]+ 589.074308 230.7
[M+H-H2O]+ 533.108410 212.6
[M+HCOO]- 595.109351 236.5
[M+CH3COO]- 609.125001 251.2
[M+Na-2H]- 571.085816 217.5
[M]+ 550.11060142 236.0
[M]- 550.11169858 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