CID 165368685

Chebi:193115

Structural Information

Molecular Formula
C17H10O6
SMILES
C1=CC(=CC=C1C2=C(/C(=C/C3=CC(=O)C(=O)C=C3)/OC2=O)O)O
InChI
InChI=1S/C17H10O6/c18-11-4-2-10(3-5-11)15-16(21)14(23-17(15)22)8-9-1-6-12(19)13(20)7-9/h1-8,18,21H/b14-8-
InChIKey
XCAJKWRKGYWTHV-ZSOIEALJSA-N
Compound name
4-[(Z)-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.04773 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05501 165.5
[M+Na]+ 333.03695 175.2
[M-H]- 309.04045 174.8
[M+NH4]+ 328.08155 179.4
[M+K]+ 349.01089 171.4
[M+H-H2O]+ 293.04499 158.9
[M+HCOO]- 355.04593 186.1
[M+CH3COO]- 369.06158 199.5
[M+Na-2H]- 331.02240 166.1
[M]+ 310.04718 166.2
[M]- 310.04828 166.2
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.