CID 6478844

(e)-7-hydroxy-2-[2-(4-hydroxyphenyl)ethenyl]-6-benzofurancarboxylic acid

Structural Information

Molecular Formula
C17H12O5
SMILES
C1=CC(=CC=C1/C=C/C2=CC3=C(O2)C(=C(C=C3)C(=O)O)O)O
InChI
InChI=1S/C17H12O5/c18-12-5-1-10(2-6-12)3-7-13-9-11-4-8-14(17(20)21)15(19)16(11)22-13/h1-9,18-19H,(H,20,21)/b7-3+
InChIKey
OSKTZGUGVZOYQJ-XVNBXDOJSA-N
Compound name
7-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.06848 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.075756 164.4
[M+Na]+ 319.057698 174.2
[M-H]- 295.061204 170.2
[M+NH4]+ 314.102303 179.4
[M+K]+ 335.031638 170.0
[M+H-H2O]+ 279.065740 158.4
[M+HCOO]- 341.066681 184.6
[M+CH3COO]- 355.082331 195.3
[M+Na-2H]- 317.043146 167.9
[M]+ 296.06793142 167.4
[M]- 296.06902858 167.4
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.