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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	319.044846	164.9
[M+Na]+	341.026788	175.4
[M-H]-	317.030294	168.0
[M+NH4]+	336.071393	177.2
[M+K]+	357.000728	172.7
[M+H-H2O]+	301.034830	159.5
[M+HCOO]-	363.035771	181.2
[M+CH3COO]-	377.051421	196.3
[M+Na-2H]-	339.012236	166.6
[M]+	318.03702142	168.3
[M]-	318.03811858	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe