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]+ 345.096876 172.7
[M+Na]+ 367.078818 183.7
[M-H]- 343.082324 179.5
[M+NH4]+ 362.123423 190.2
[M+K]+ 383.052758 180.9
[M+H-H2O]+ 327.086860 167.1
[M+HCOO]- 389.087801 193.3
[M+CH3COO]- 403.103451 208.7
[M+Na-2H]- 365.064266 174.9
[M]+ 344.08905142 179.6
[M]- 344.09014858 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.