CID 10413926

Bl iii

Structural Information

Molecular Formula
C26H20O11
SMILES
CC(=O)OC1=CC=C(C=C1)C2=C(C3=C(C4=CC(=C(C=C4O3)O)O)C(=C2OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C26H20O11/c1-11(27)33-16-7-5-15(6-8-16)21-23(34-12(2)28)25(36-14(4)30)22-17-9-18(31)19(32)10-20(17)37-26(22)24(21)35-13(3)29/h5-10,31-32H,1-4H3
InChIKey
RCCVHCHMVALAKN-UHFFFAOYSA-N
Compound name
[4-(1,2,4-triacetyloxy-7,8-dihydroxydibenzofuran-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

508.10056 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.10784 213.0
[M+Na]+ 531.08978 224.6
[M+NH4]+ 526.13438 215.1
[M+K]+ 547.06372 224.8
[M-H]- 507.09328 214.2
[M+Na-2H]- 529.07523 213.6
[M]+ 508.10001 214.6
[M]- 508.10111 214.6
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