CID 25164057

3,8'-biflaviolin 2,2'-diolate

Structural Information

Molecular Formula
C20H10O10
SMILES
C1=C(C=C(C2=C1C(=O)C(=O)C(=C2O)C3=C(C=C(C4=C3C(=O)C(=O)C=C4O)O)O)O)O
InChI
InChI=1S/C20H10O10/c21-5-1-6-12(7(22)2-5)19(29)16(20(30)17(6)27)14-10(25)3-8(23)13-9(24)4-11(26)18(28)15(13)14/h1-4,21-25,29H
InChIKey
IHEKRRLEONOHHE-UHFFFAOYSA-N
Compound name
4,5,7-trihydroxy-3-(2,4,5-trihydroxy-7,8-dioxonaphthalen-1-yl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

410.0274 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.03468 186.8
[M+Na]+ 433.01662 197.4
[M-H]- 409.02012 189.6
[M+NH4]+ 428.06122 195.7
[M+K]+ 448.99056 194.1
[M+H-H2O]+ 393.02466 179.5
[M+HCOO]- 455.02560 197.8
[M+CH3COO]- 469.04125 221.3
[M+Na-2H]- 431.00207 186.6
[M]+ 410.02685 188.7
[M]- 410.02795 188.7
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.