CID 3055005

Brn 5598806

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(C(=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O)O
InChI
InChI=1S/C16H12O6/c1-22-11-7-6-10(12(17)13(11)18)16(21)14(19)8-4-2-3-5-9(8)15(16)20/h2-7,17-18,21H,1H3
InChIKey
WYXFLSFKQMNQKI-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxy-4-methoxyphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 162.6
[M+Na]+ 323.05262 173.5
[M-H]- 299.05612 168.1
[M+NH4]+ 318.09722 181.1
[M+K]+ 339.02656 169.4
[M+H-H2O]+ 283.06066 157.5
[M+HCOO]- 345.06160 182.3
[M+CH3COO]- 359.07725 196.9
[M+Na-2H]- 321.03807 165.7
[M]+ 300.06285 165.2
[M]- 300.06395 165.2
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.