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

34
References

55
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 151.4
[M+Na]+ 300.99548 165.3
[M-H]- 276.99898 155.8
[M+NH4]+ 296.04008 165.1
[M+K]+ 316.96942 164.3
[M+H-H2O]+ 261.00352 145.2
[M+HCOO]- 323.00446 169.5
[M+CH3COO]- 337.02011 192.5
[M+Na-2H]- 298.98093 160.4
[M]+ 278.00571 158.6
[M]- 278.00681 158.6
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