CID 3010923

1,2,4,8-tetrahydroxy-9,10-anthracenedione

Structural Information

Molecular Formula
C14H8O6
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC(=C3O)O)O
InChI
InChI=1S/C14H8O6/c15-6-3-1-2-5-9(6)14(20)11-10(12(5)18)7(16)4-8(17)13(11)19/h1-4,15-17,19H
InChIKey
SZHLXYPGRYGVCD-UHFFFAOYSA-N
Compound name
1,2,4,8-tetrahydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.03207 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03935 153.5
[M+Na]+ 295.02129 164.8
[M-H]- 271.02479 155.3
[M+NH4]+ 290.06589 169.9
[M+K]+ 310.99523 160.3
[M+H-H2O]+ 255.02933 148.2
[M+HCOO]- 317.03027 169.7
[M+CH3COO]- 331.04592 193.1
[M+Na-2H]- 293.00674 158.3
[M]+ 272.03152 154.2
[M]- 272.03262 154.2
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

No patent data available for this compound.