CID 14887925

6-demethylvignafuran

Structural Information

Molecular Formula
C15H12O4
SMILES
COC1=C(C=CC(=C1)O)C2=CC3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C15H12O4/c1-18-14-8-11(17)4-5-12(14)15-6-9-2-3-10(16)7-13(9)19-15/h2-8,16-17H,1H3
InChIKey
QTFMQWQJMAKEOI-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-2-methoxyphenyl)-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 153.1
[M+Na]+ 279.062768 164.3
[M-H]- 255.066274 160.6
[M+NH4]+ 274.107373 170.9
[M+K]+ 295.036708 161.2
[M+H-H2O]+ 239.070810 147.2
[M+HCOO]- 301.071751 176.1
[M+CH3COO]- 315.087401 167.1
[M+Na-2H]- 277.048216 159.3
[M]+ 256.07300142 158.0
[M]- 256.07409858 158.0
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