CID 57810725

52256-85-6

Structural Information

Molecular Formula
C28H14O8S
SMILES
C1=CC(=CC=C1OC2=CC3=C(C=C2)C(=O)OC3=O)SC4=CC=C(C=C4)OC5=CC6=C(C=C5)C(=O)OC6=O
InChI
InChI=1S/C28H14O8S/c29-25-21-11-5-17(13-23(21)27(31)35-25)33-15-1-7-19(8-2-15)37-20-9-3-16(4-10-20)34-18-6-12-22-24(14-18)28(32)36-26(22)30/h1-14H
InChIKey
CQSISKINANYZED-UHFFFAOYSA-N
Compound name
5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]sulfanylphenoxy]-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

510.04092 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.04820 215.6
[M+Na]+ 533.03014 231.6
[M+NH4]+ 528.07474 222.4
[M+K]+ 549.00408 226.1
[M-H]- 509.03364 225.5
[M+Na-2H]- 531.01559 221.9
[M]+ 510.04037 221.3
[M]- 510.04147 221.3
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