CID 135483971

Galloflavin

Structural Information

Molecular Formula
C12H6O8
SMILES
C1=C2C(=C3C(=CC(=C(O3)O)O)OC2=O)C(=C(C1=O)O)O
InChI
InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,14-16,18H
InChIKey
UXHISTVMLJLECY-UHFFFAOYSA-N
Compound name
2,3,9,10-tetrahydroxypyrano[3,2-c]isochromene-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

54
Patents

278.00626 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01354 153.4
[M+Na]+ 300.99548 169.0
[M+NH4]+ 296.04008 159.0
[M+K]+ 316.96942 166.1
[M-H]- 276.99898 156.0
[M+Na-2H]- 298.98093 156.3
[M]+ 278.00571 156.3
[M]- 278.00681 156.3
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