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

1
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

literature stripe

Patent stripe

patents stripe