CID 44260115

Norwedelic acid

Structural Information

Molecular Formula
C15H10O8
SMILES
C1=C(C=C(C(=C1O)C2=C(C3=CC(=C(C=C3O2)O)O)C(=O)O)O)O
InChI
InChI=1S/C15H10O8/c16-5-1-9(19)13(10(20)2-5)14-12(15(21)22)6-3-7(17)8(18)4-11(6)23-14/h1-4,16-20H,(H,21,22)
InChIKey
OYMZVRJQIIYPTP-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-2-(2,4,6-trihydroxyphenyl)-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.03757 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04485 164.9
[M+Na]+ 341.02679 175.4
[M-H]- 317.03029 168.0
[M+NH4]+ 336.07139 177.2
[M+K]+ 357.00073 172.7
[M+H-H2O]+ 301.03483 159.5
[M+HCOO]- 363.03577 181.2
[M+CH3COO]- 377.05142 196.3
[M+Na-2H]- 339.01224 166.6
[M]+ 318.03702 168.3
[M]- 318.03812 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.