CID 10002448

146905-24-0

Structural Information

Molecular Formula
C22H16O9
SMILES
CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)O)OC4=CC(=C(C=C42)O)O)OC(=O)C
InChI
InChI=1S/C22H16O9/c1-9(23)29-21-17(11-3-5-12(25)6-4-11)19(28)20-18(22(21)30-10(2)24)13-7-14(26)15(27)8-16(13)31-20/h3-8,25-28H,1-2H3
InChIKey
YJCDGKMVAYETOP-UHFFFAOYSA-N
Compound name
[1-acetyloxy-4,7,8-trihydroxy-3-(4-hydroxyphenyl)dibenzofuran-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

424.07944 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08672 193.8
[M+Na]+ 447.06866 203.5
[M-H]- 423.07216 200.1
[M+NH4]+ 442.11326 203.9
[M+K]+ 463.04260 202.3
[M+H-H2O]+ 407.07670 187.0
[M+HCOO]- 469.07764 209.4
[M+CH3COO]- 483.09329 222.1
[M+Na-2H]- 445.05411 194.2
[M]+ 424.07889 202.2
[M]- 424.07999 202.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe