CID 14549436

17828-53-4

Structural Information

Molecular Formula
C22H10O8
SMILES
C1=CC(=CC=C1OC2=CC3=C(C=C2)C(=O)OC3=O)OC4=CC5=C(C=C4)C(=O)OC5=O
InChI
InChI=1S/C22H10O8/c23-19-15-7-5-13(9-17(15)21(25)29-19)27-11-1-2-12(4-3-11)28-14-6-8-16-18(10-14)22(26)30-20(16)24/h1-10H
InChIKey
BBTGUNMUUYNPLH-UHFFFAOYSA-N
Compound name
5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2741
Patents

402.03757 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.04485 185.3
[M+Na]+ 425.02679 196.1
[M-H]- 401.03029 200.0
[M+NH4]+ 420.07139 198.7
[M+K]+ 441.00073 195.0
[M+H-H2O]+ 385.03483 179.1
[M+HCOO]- 447.03577 206.3
[M+CH3COO]- 461.05142 198.1
[M+Na-2H]- 423.01224 186.9
[M]+ 402.03702 193.4
[M]- 402.03812 193.4
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