CID 66485

81-59-4

Structural Information

Molecular Formula

C₁₄H₁₀O₆

SMILES

C1CC(=O)C2=C(C3=C(C=CC(=C3C(=C2C1=O)O)O)O)O

InChI

InChI=1S/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-2,15-16,19-20H,3-4H2

InChIKey

QJQPINQAQJTYMH-UHFFFAOYSA-N

Compound name

5,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 86
Patents: 274.04773 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.05501	154.5
[M+Na]+	297.03695	164.8
[M-H]-	273.04045	155.9
[M+NH4]+	292.08155	170.8
[M+K]+	313.01089	160.4
[M+H-H2O]+	257.04499	149.3
[M+HCOO]-	319.04593	169.2
[M+CH3COO]-	333.06158	193.5
[M+Na-2H]-	295.02240	158.4
[M]+	274.04718	153.9
[M]-	274.04828	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe