CID 3055008

Brn 5606841

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC(=C(C=C1C2(C(=O)C3=CC=CC=C3C2=O)O)OC)OC
InChI
InChI=1S/C18H16O6/c1-22-13-9-15(24-3)14(23-2)8-12(13)18(21)16(19)10-6-4-5-7-11(10)17(18)20/h4-9,21H,1-3H3
InChIKey
CTPZAMDBMWKKOA-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2,4,5-trimethoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 170.3
[M+Na]+ 351.08392 181.2
[M-H]- 327.08742 178.2
[M+NH4]+ 346.12852 189.1
[M+K]+ 367.05786 178.3
[M+H-H2O]+ 311.09196 164.3
[M+HCOO]- 373.09290 192.4
[M+CH3COO]- 387.10855 207.3
[M+Na-2H]- 349.06937 173.2
[M]+ 328.09415 177.2
[M]- 328.09525 177.2
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.