CID 160478

Flaviolin-2-olate

Structural Information

Molecular Formula
C10H6O5
SMILES
C1=C(C=C(C2=C1C(=O)C(=O)C=C2O)O)O
InChI
InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-13H
InChIKey
XNPCAGMCQDGQKK-UHFFFAOYSA-N
Compound name
4,5,7-trihydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

215
Patents

206.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02881 138.8
[M+Na]+ 229.01075 151.6
[M+NH4]+ 224.05535 145.6
[M+K]+ 244.98469 147.3
[M-H]- 205.01425 138.9
[M+Na-2H]- 226.99620 142.6
[M]+ 206.02098 140.3
[M]- 206.02208 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe