CID 165368708

Chebi:193114

Structural Information

Molecular Formula
C17H12O7
SMILES
C1=CC(=C(C=C1/C=C\2/C(=C(C(=O)O2)C3=CC(=C(C=C3)O)O)O)O)O
InChI
InChI=1S/C17H12O7/c18-10-3-1-8(5-12(10)20)6-14-16(22)15(17(23)24-14)9-2-4-11(19)13(21)7-9/h1-7,18-22H/b14-6-
InChIKey
FSDFCUAREMOFMW-NSIKDUERSA-N
Compound name
(5Z)-3-(3,4-dihydroxyphenyl)-5-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06558 171.0
[M+Na]+ 351.04752 180.1
[M-H]- 327.05102 176.8
[M+NH4]+ 346.09212 182.3
[M+K]+ 367.02146 176.0
[M+H-H2O]+ 311.05556 164.6
[M+HCOO]- 373.05650 188.0
[M+CH3COO]- 387.07215 198.2
[M+Na-2H]- 349.03297 170.5
[M]+ 328.05775 171.0
[M]- 328.05885 171.0
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.