CID 198533

Einecs 274-886-4

Structural Information

Molecular Formula
C19H16O6
SMILES
COC1=C(C=C(C=C1)C(=O)CC2(C(=O)C3=CC=CC=C3C2=O)O)OC
InChI
InChI=1S/C19H16O6/c1-24-15-8-7-11(9-16(15)25-2)14(20)10-19(23)17(21)12-5-3-4-6-13(12)18(19)22/h3-9,23H,10H2,1-2H3
InChIKey
JHBFGEOIOJLSIR-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

340.0947 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 174.4
[M+Na]+ 363.08392 183.9
[M-H]- 339.08742 181.8
[M+NH4]+ 358.12852 192.2
[M+K]+ 379.05786 180.7
[M+H-H2O]+ 323.09196 168.2
[M+HCOO]- 385.09290 195.3
[M+CH3COO]- 399.10855 209.1
[M+Na-2H]- 361.06937 176.3
[M]+ 340.09415 179.8
[M]- 340.09525 179.8
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

patents stripe