CID 6686

1,4,5,8-tetrahydroxyanthraquinone

Structural Information

Molecular Formula
C14H8O6
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
InChI
InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H
InChIKey
SOGCSKLTQHBFLP-UHFFFAOYSA-N
Compound name
1,4,5,8-tetrahydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

383
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

patents stripe