CID 6476403

Megxp0_001914

Structural Information

Molecular Formula

C₁₆H₁₂O₆

SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(C=C(C=C3O2)O)O)O

InChI

InChI=1S/C16H12O6/c1-21-12-3-2-8(4-10(12)18)5-14-16(20)15-11(19)6-9(17)7-13(15)22-14/h2-7,17-19H,1H3/b14-5-

InChIKey

WKEOZXMSVNVPCM-RZNTYIFUSA-N

Compound name

(2Z)-4,6-dihydroxy-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 300.0634 Da
Monoisotopic Mass: 3.1
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]+	301.070676	163.6
[M+Na]+	323.052618	173.8
[M-H]-	299.056124	169.5
[M+NH4]+	318.097223	178.9
[M+K]+	339.026558	170.3
[M+H-H2O]+	283.060660	158.0
[M+HCOO]-	345.061601	182.5
[M+CH3COO]-	359.077251	197.0
[M+Na-2H]-	321.038066	166.0
[M]+	300.06285142	166.4
[M]-	300.06394858	166.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.