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

330
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 183.2
[M+Na]+ 433.01662 192.1
[M-H]- 409.02012 194.2
[M+NH4]+ 428.06122 196.1
[M+K]+ 448.99056 192.9
[M+H-H2O]+ 393.02466 178.4
[M+HCOO]- 455.02560 202.3
[M+CH3COO]- 469.04125 222.5
[M+Na-2H]- 431.00207 183.8
[M]+ 410.02685 193.0
[M]- 410.02795 193.0
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