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]+ 297.07576 164.4
[M+Na]+ 319.05770 174.2
[M-H]- 295.06120 170.2
[M+NH4]+ 314.10230 179.4
[M+K]+ 335.03164 170.0
[M+H-H2O]+ 279.06574 158.4
[M+HCOO]- 341.06668 184.6
[M+CH3COO]- 355.08233 195.3
[M+Na-2H]- 317.04315 167.9
[M]+ 296.06793 167.4
[M]- 296.06903 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.