CID 44260110

2-(2,4-dihydroxyphenyl)-5,6-dimethoxybenzofuran

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)O)O)OC
InChI
InChI=1S/C16H14O5/c1-19-15-6-9-5-14(21-13(9)8-16(15)20-2)11-4-3-10(17)7-12(11)18/h3-8,17-18H,1-2H3
InChIKey
TTWXNRBRBJPLQH-UHFFFAOYSA-N
Compound name
4-(5,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
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]+ 287.091416 160.8
[M+Na]+ 309.073358 172.2
[M-H]- 285.076864 168.4
[M+NH4]+ 304.117963 177.5
[M+K]+ 325.047298 169.7
[M+H-H2O]+ 269.081400 154.6
[M+HCOO]- 331.082341 183.5
[M+CH3COO]- 345.097991 196.9
[M+Na-2H]- 307.058806 165.9
[M]+ 286.08359142 167.8
[M]- 286.08468858 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.