CID 3055006

Brn 5598835

Structural Information

Molecular Formula
C16H12O6
SMILES
COC1=C(C=C(C(=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O)O
InChI
InChI=1S/C16H12O6/c1-22-13-7-11(17)10(6-12(13)18)16(21)14(19)8-4-2-3-5-9(8)15(16)20/h2-7,17-18,21H,1H3
InChIKey
GHJPKQPNRSMNLZ-UHFFFAOYSA-N
Compound name
2-(2,5-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]+ 301.070676 162.6
[M+Na]+ 323.052618 173.5
[M-H]- 299.056124 168.1
[M+NH4]+ 318.097223 181.1
[M+K]+ 339.026558 169.4
[M+H-H2O]+ 283.060660 157.5
[M+HCOO]- 345.061601 182.3
[M+CH3COO]- 359.077251 196.9
[M+Na-2H]- 321.038066 165.7
[M]+ 300.06285142 165.2
[M]- 300.06394858 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.