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]+ 271.06011 156.4
[M+Na]+ 293.04205 166.4
[M-H]- 269.04555 162.1
[M+NH4]+ 288.08665 172.7
[M+K]+ 309.01599 162.3
[M+H-H2O]+ 253.05009 151.0
[M+HCOO]- 315.05103 175.5
[M+CH3COO]- 329.06668 190.3
[M+Na-2H]- 291.02750 159.8
[M]+ 270.05228 157.0
[M]- 270.05338 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.