CID 21787915

Isopterofuran

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=CC(=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C16H14O5/c1-19-15-11(5-6-12(18)16(15)20-2)14-7-9-3-4-10(17)8-13(9)21-14/h3-8,17-18H,1-2H3
InChIKey
MJXRPRSQGHPZMK-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-2,3-dimethoxyphenyl)-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 160.8
[M+Na]+ 309.07336 172.2
[M-H]- 285.07686 168.4
[M+NH4]+ 304.11796 177.5
[M+K]+ 325.04730 169.7
[M+H-H2O]+ 269.08140 154.6
[M+HCOO]- 331.08234 183.5
[M+CH3COO]- 345.09799 196.9
[M+Na-2H]- 307.05881 165.9
[M]+ 286.08359 167.8
[M]- 286.08469 167.8
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.