CID 6123196

(2e)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=C(C=C1/C=C/2\C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4+
InChIKey
WBEFUVAYFSOUEA-YIXHJXPBSA-N
Compound name
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

212
Patents

286.04773 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 159.6
[M+Na]+ 309.03695 169.8
[M-H]- 285.04045 164.3
[M+NH4]+ 304.08155 174.7
[M+K]+ 325.01089 165.7
[M+H-H2O]+ 269.04499 154.4
[M+HCOO]- 331.04593 177.2
[M+CH3COO]- 345.06158 192.0
[M+Na-2H]- 307.02240 162.0
[M]+ 286.04718 160.3
[M]- 286.04828 160.3
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

patents stripe