CID 74420

1732-96-3

Structural Information

Molecular Formula
C20H10O10
SMILES
C1=CC2=C(C=C1C(=O)OCCOC(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
InChI
InChI=1S/C20H10O10/c21-15(9-1-3-11-13(7-9)19(25)29-17(11)23)27-5-6-28-16(22)10-2-4-12-14(8-10)20(26)30-18(12)24/h1-4,7-8H,5-6H2
InChIKey
XQBLBHYWXZNCJZ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyethyl 1,3-dioxo-2-benzofuran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
Patents

410.0274 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.03468 185.3
[M+Na]+ 433.01662 195.4
[M+NH4]+ 428.06122 188.8
[M+K]+ 448.99056 197.1
[M-H]- 409.02012 187.5
[M+Na-2H]- 431.00207 185.0
[M]+ 410.02685 186.8
[M]- 410.02795 186.8
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