CID 3042625

Brn 2298308

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=CC(=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)O)OC
InChI
InChI=1S/C17H14O5/c1-21-10-7-8-13(14(9-10)22-2)17(20)15(18)11-5-3-4-6-12(11)16(17)19/h3-9,20H,1-2H3
InChIKey
CKJZGPPCRNAZQI-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 163.9
[M+Na]+ 321.07336 174.7
[M-H]- 297.07686 171.6
[M+NH4]+ 316.11796 183.7
[M+K]+ 337.04730 171.0
[M+H-H2O]+ 281.08140 157.9
[M+HCOO]- 343.08234 186.2
[M+CH3COO]- 357.09799 200.7
[M+Na-2H]- 319.05881 167.6
[M]+ 298.08359 168.5
[M]- 298.08469 168.5
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.