CID 10344454

Bl iv

Structural Information

Molecular Formula
C24H18O10
SMILES
CC(=O)OC1=C(C(=C(C2=C1OC3=CC(=C(C=C32)O)O)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)O
InChI
InChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3
InChIKey
DTOIFOOSMQSUBD-UHFFFAOYSA-N
Compound name
[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzofuran-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

466.09 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.09728 203.4
[M+Na]+ 489.07922 212.1
[M-H]- 465.08272 210.7
[M+NH4]+ 484.12382 212.0
[M+K]+ 505.05316 212.3
[M+H-H2O]+ 449.08726 196.1
[M+HCOO]- 511.08820 219.1
[M+CH3COO]- 525.10385 232.0
[M+Na-2H]- 487.06467 202.5
[M]+ 466.08945 214.1
[M]- 466.09055 214.1
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