CID 74574

1823-59-2

Structural Information

Molecular Formula
C16H6O7
SMILES
C1=CC2=C(C=C1OC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
InChI
InChI=1S/C16H6O7/c17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18/h1-6H
InChIKey
QQGYZOYWNCKGEK-UHFFFAOYSA-N
Compound name
5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

29781
Patents

310.01135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01863 160.1
[M+Na]+ 333.00057 172.1
[M-H]- 309.00407 171.8
[M+NH4]+ 328.04517 177.9
[M+K]+ 348.97451 171.2
[M+H-H2O]+ 293.00861 155.8
[M+HCOO]- 355.00955 182.1
[M+CH3COO]- 369.02520 204.2
[M+Na-2H]- 330.98602 163.9
[M]+ 310.01080 167.2
[M]- 310.01190 167.2
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