CID 54169357

114874-92-9

Structural Information

Molecular Formula
C8H4O5
SMILES
C1=C2C(=CC(=C1O)O)C(=O)OC2=O
InChI
InChI=1S/C8H4O5/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2,9-10H
InChIKey
OTXNQJFPWOGQRL-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.00587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01315 128.7
[M+Na]+ 202.99509 140.0
[M-H]- 178.99859 132.7
[M+NH4]+ 198.03969 149.5
[M+K]+ 218.96903 138.6
[M+H-H2O]+ 163.00313 124.9
[M+HCOO]- 225.00407 150.3
[M+CH3COO]- 239.01972 174.6
[M+Na-2H]- 200.98054 134.9
[M]+ 180.00532 130.8
[M]- 180.00642 130.8
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