CID 117749

26177-82-2

Structural Information

Molecular Formula
C28H14O8
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)OC3=CC4=C(C=C3)C(=O)OC4=O)OC5=CC6=C(C=C5)C(=O)OC6=O
InChI
InChI=1S/C28H14O8/c29-25-21-11-9-19(13-23(21)27(31)35-25)33-17-5-1-15(2-6-17)16-3-7-18(8-4-16)34-20-10-12-22-24(14-20)28(32)36-26(22)30/h1-14H
InChIKey
XPPLXZKTJFEVNS-UHFFFAOYSA-N
Compound name
5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]phenoxy]-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

478.06888 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.07616 208.5
[M+Na]+ 501.05810 225.0
[M+NH4]+ 496.10270 214.9
[M+K]+ 517.03204 221.7
[M-H]- 477.06160 218.3
[M+Na-2H]- 499.04355 214.9
[M]+ 478.06833 213.7
[M]- 478.06943 213.7
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