CID 75494

2420-87-3

Structural Information

Molecular Formula
C16H6O6
SMILES
C1=CC2=C(C=C1C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
InChI
InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H
InChIKey
WKDNYTOXBCRNPV-UHFFFAOYSA-N
Compound name
5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

36878
Patents

294.01645 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02373 159.3
[M+Na]+ 317.00567 173.1
[M+NH4]+ 312.05027 166.7
[M+K]+ 332.97961 171.9
[M-H]- 293.00917 164.6
[M+Na-2H]- 314.99112 162.4
[M]+ 294.01590 162.6
[M]- 294.01700 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe