CID 3047108

Brn 2296831

Structural Information

Molecular Formula
C16H12O5
SMILES
CC1=C(C=CC(=C1O)C2(C(=O)C3=CC=CC=C3C2=O)O)O
InChI
InChI=1S/C16H12O5/c1-8-12(17)7-6-11(13(8)18)16(21)14(19)9-4-2-3-5-10(9)15(16)20/h2-7,17-18,21H,1H3
InChIKey
VTMNKVXBKGYYPH-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxy-3-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]+ 285.07576 159.9
[M+Na]+ 307.05770 171.2
[M-H]- 283.06120 165.5
[M+NH4]+ 302.10230 179.3
[M+K]+ 323.03164 166.2
[M+H-H2O]+ 267.06574 155.1
[M+HCOO]- 329.06668 179.5
[M+CH3COO]- 343.08233 194.6
[M+Na-2H]- 305.04315 162.8
[M]+ 284.06793 161.1
[M]- 284.06903 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.