CID 656952

5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile

Structural Information

Molecular Formula
C15H9NO3
SMILES
C1=CC(=CC=C1C2=CC3=CC(=CC(=C3O2)C#N)O)O
InChI
InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H
InChIKey
GGEKOZPXKBYLNK-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

251.05824 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.065516 159.7
[M+Na]+ 274.047458 173.5
[M-H]- 250.050964 165.2
[M+NH4]+ 269.092063 175.6
[M+K]+ 290.021398 166.8
[M+H-H2O]+ 234.055500 147.1
[M+HCOO]- 296.056441 178.7
[M+CH3COO]- 310.072091 171.6
[M+Na-2H]- 272.032906 164.5
[M]+ 251.05769142 157.3
[M]- 251.05878858 157.3
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

patents stripe