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

2724
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 186.8
[M+Na]+ 425.02679 201.4
[M+NH4]+ 420.07139 193.1
[M+K]+ 441.00073 199.8
[M-H]- 401.03029 193.9
[M+Na-2H]- 423.01224 191.2
[M]+ 402.03702 190.8
[M]- 402.03812 190.8
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