CID 75498

2421-28-5

Structural Information

Molecular Formula
C17H6O7
SMILES
C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
InChI
InChI=1S/C17H6O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6H
InChIKey
VQVIHDPBMFABCQ-UHFFFAOYSA-N
Compound name
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

50886
Patents

322.01135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01863 164.1
[M+Na]+ 345.00057 175.5
[M-H]- 321.00407 175.7
[M+NH4]+ 340.04517 181.2
[M+K]+ 360.97451 174.4
[M+H-H2O]+ 305.00861 159.9
[M+HCOO]- 367.00955 184.8
[M+CH3COO]- 381.02520 207.4
[M+Na-2H]- 342.98602 166.2
[M]+ 322.01080 170.2
[M]- 322.01190 170.2
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