CID 3054427

Brn 2296825

Structural Information

Molecular Formula
C16H12O5
SMILES
CC1=C(C(=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)O)O
InChI
InChI=1S/C16H12O5/c1-8-6-7-11(13(18)12(8)17)16(21)14(19)9-4-2-3-5-10(9)15(16)20/h2-7,17-18,21H,1H3
InChIKey
XDOWNECHYKTSAK-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxy-4-methylphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.075756 159.9
[M+Na]+ 307.057698 171.2
[M-H]- 283.061204 165.5
[M+NH4]+ 302.102303 179.3
[M+K]+ 323.031638 166.2
[M+H-H2O]+ 267.065740 155.1
[M+HCOO]- 329.066681 179.5
[M+CH3COO]- 343.082331 194.6
[M+Na-2H]- 305.043146 162.8
[M]+ 284.06793142 161.1
[M]- 284.06902858 161.1
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.