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]+ 299.091416 163.9
[M+Na]+ 321.073358 174.7
[M-H]- 297.076864 171.6
[M+NH4]+ 316.117963 183.7
[M+K]+ 337.047298 171.0
[M+H-H2O]+ 281.081400 157.9
[M+HCOO]- 343.082341 186.2
[M+CH3COO]- 357.097991 200.7
[M+Na-2H]- 319.058806 167.6
[M]+ 298.08359142 168.5
[M]- 298.08468858 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.