CID 6476402

Chembl1807311

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC(=C(C=C1O)O)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C15H10O5/c16-9-2-1-8(12(18)6-9)5-14-15(19)11-4-3-10(17)7-13(11)20-14/h1-7,16-18H/b14-5-
InChIKey
MKRZQRDYRUVFAW-RZNTYIFUSA-N
Compound name
(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.05283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.060106 156.4
[M+Na]+ 293.042048 166.4
[M-H]- 269.045554 162.1
[M+NH4]+ 288.086653 172.7
[M+K]+ 309.015988 162.3
[M+H-H2O]+ 253.050090 151.0
[M+HCOO]- 315.051031 175.5
[M+CH3COO]- 329.066681 190.3
[M+Na-2H]- 291.027496 159.8
[M]+ 270.05228142 157.0
[M]- 270.05337858 157.0
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.