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]+ 301.07068 164.7
[M+Na]+ 323.05262 177.1
[M+NH4]+ 318.09722 172.3
[M+K]+ 339.02656 172.4
[M-H]- 299.05612 166.1
[M+Na-2H]- 321.03807 170.1
[M]+ 300.06285 166.8
[M]- 300.06395 166.8
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.