CID 610356

5,6-dimethoxyisobenzofuran-1,3-dione

Structural Information

Molecular Formula
C10H8O5
SMILES
COC1=C(C=C2C(=C1)C(=O)OC2=O)OC
InChI
InChI=1S/C10H8O5/c1-13-7-3-5-6(4-8(7)14-2)10(12)15-9(5)11/h3-4H,1-2H3
InChIKey
IMSDRBDUANUSRL-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

208.03717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04445 139.2
[M+Na]+ 231.02639 151.6
[M+NH4]+ 226.07099 146.7
[M+K]+ 247.00033 148.9
[M-H]- 207.02989 141.1
[M+Na-2H]- 229.01184 142.6
[M]+ 208.03662 141.3
[M]- 208.03772 141.3
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