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
3
Annotation Hits

0
References

321
Patents

410.0274 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.034676 183.2
[M+Na]+ 433.016618 192.1
[M-H]- 409.020124 194.2
[M+NH4]+ 428.061223 196.1
[M+K]+ 448.990558 192.9
[M+H-H2O]+ 393.024660 178.4
[M+HCOO]- 455.025601 202.3
[M+CH3COO]- 469.041251 222.5
[M+Na-2H]- 431.002066 183.8
[M]+ 410.02685142 193.0
[M]- 410.02794858 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