CID 364108

5,6-dimethoxynaphtol[2,3-b]furan-4,9-dione

Structural Information

Molecular Formula
C14H10O5
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CO3)OC
InChI
InChI=1S/C14H10O5/c1-17-9-4-3-7-10(14(9)18-2)11(15)8-5-6-19-13(8)12(7)16/h3-6H,1-2H3
InChIKey
VMGYORRTCREVTB-UHFFFAOYSA-N
Compound name
5,6-dimethoxybenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05283 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 150.7
[M+Na]+ 281.04205 162.4
[M-H]- 257.04555 158.1
[M+NH4]+ 276.08665 170.9
[M+K]+ 297.01599 160.9
[M+H-H2O]+ 241.05009 145.5
[M+HCOO]- 303.05103 173.0
[M+CH3COO]- 317.06668 196.6
[M+Na-2H]- 279.02750 156.7
[M]+ 258.05228 157.7
[M]- 258.05338 157.7
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

No patent data available for this compound.