CID 10403706

7-hydroxy-6-methoxy-alpha-pyrufuran

Structural Information

Molecular Formula
C16H16O7
SMILES
COC1=C(C=CC2=C1OC3=C2C(=C(C(=C3OC)OC)O)OC)O
InChI
InChI=1S/C16H16O7/c1-19-12-8(17)6-5-7-9-13(20-2)10(18)15(21-3)16(22-4)14(9)23-11(7)12/h5-6,17-18H,1-4H3
InChIKey
QPJPNKHHNVCLCF-UHFFFAOYSA-N
Compound name
1,3,4,6-tetramethoxydibenzofuran-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09688 167.3
[M+Na]+ 343.07882 179.6
[M-H]- 319.08232 173.0
[M+NH4]+ 338.12342 184.1
[M+K]+ 359.05276 178.8
[M+H-H2O]+ 303.08686 161.8
[M+HCOO]- 365.08780 188.4
[M+CH3COO]- 379.10345 206.1
[M+Na-2H]- 341.06427 172.1
[M]+ 320.08905 179.3
[M]- 320.09015 179.3
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

No patent data available for this compound.