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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 163.6
[M+Na]+ 323.05262 173.8
[M-H]- 299.05612 169.5
[M+NH4]+ 318.09722 178.9
[M+K]+ 339.02656 170.3
[M+H-H2O]+ 283.06066 158.0
[M+HCOO]- 345.06160 182.5
[M+CH3COO]- 359.07725 197.0
[M+Na-2H]- 321.03807 166.0
[M]+ 300.06285 166.4
[M]- 300.06395 166.4
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.