CID 3058940

Brn 5627269

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C(=C(C(=C1)O)C2(C(=O)C3=CC=CC=C3C2=O)O)OC)OC
InChI
InChI=1S/C18H16O7/c1-23-12-8-11(19)13(15(25-3)14(12)24-2)18(22)16(20)9-6-4-5-7-10(9)17(18)21/h4-8,19,22H,1-3H3
InChIKey
HHRFFIDURJBUAQ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(6-hydroxy-2,3,4-trimethoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0896 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 172.7
[M+Na]+ 367.07882 183.7
[M-H]- 343.08232 179.5
[M+NH4]+ 362.12342 190.2
[M+K]+ 383.05276 180.9
[M+H-H2O]+ 327.08686 167.1
[M+HCOO]- 389.08780 193.3
[M+CH3COO]- 403.10345 208.7
[M+Na-2H]- 365.06427 174.9
[M]+ 344.08905 179.6
[M]- 344.09015 179.6
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.