CID 80762

1,2,4,5,6,8-hexahydroxyanthracene-9,10-dione

Structural Information

Molecular Formula
C14H8O8
SMILES
C1=C(C2=C(C(=C1O)O)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O)O
InChI
InChI=1S/C14H8O8/c15-3-1-5(17)11(19)9-7(3)13(21)10-8(14(9)22)4(16)2-6(18)12(10)20/h1-2,15-20H
InChIKey
MMRNCQMFQXTUGO-UHFFFAOYSA-N
Compound name
1,2,4,5,6,8-hexahydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

468
Patents

304.0219 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02918 160.1
[M+Na]+ 327.01112 171.4
[M-H]- 303.01462 159.7
[M+NH4]+ 322.05572 173.9
[M+K]+ 342.98506 167.5
[M+H-H2O]+ 287.01916 155.0
[M+HCOO]- 349.02010 173.2
[M+CH3COO]- 363.03575 197.4
[M+Na-2H]- 324.99657 162.9
[M]+ 304.02135 161.1
[M]- 304.02245 161.1
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