CID 3058941

Brn 5606230

Structural Information

Molecular Formula
C16H10O6
SMILES
C1OC2=C(O1)C=C(C(=C2)C3(C(=O)C4=CC=CC=C4C3=O)O)O
InChI
InChI=1S/C16H10O6/c17-11-6-13-12(21-7-22-13)5-10(11)16(20)14(18)8-3-1-2-4-9(8)15(16)19/h1-6,17,20H,7H2
InChIKey
RIXKBXWJVAZPAS-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(6-hydroxy-1,3-benzodioxol-5-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.04773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05501 160.4
[M+Na]+ 321.03695 171.6
[M-H]- 297.04045 169.4
[M+NH4]+ 316.08155 179.6
[M+K]+ 337.01089 169.5
[M+H-H2O]+ 281.04499 156.7
[M+HCOO]- 343.04593 178.9
[M+CH3COO]- 357.06158 173.9
[M+Na-2H]- 319.02240 165.2
[M]+ 298.04718 164.1
[M]- 298.04828 164.1
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.