CID 95731

1,4,5,8,9,10-anthracenehexol

Structural Information

Molecular Formula

C₁₄H₁₀O₆

SMILES

C1=CC(=C2C(=C1O)C(=C3C(=CC=C(C3=C2O)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/h1-4,15-20H

InChIKey

SEBRSBADPOBOMS-UHFFFAOYSA-N

Compound name

anthracene-1,4,5,8,9,10-hexol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 274.04773 Da
Monoisotopic Mass: 3.4
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	155.6
[M+Na]+	297.03695	167.3
[M-H]-	273.04045	155.4
[M+NH4]+	292.08155	170.9
[M+K]+	313.01089	162.3
[M+H-H2O]+	257.04499	150.5
[M+HCOO]-	319.04593	171.2
[M+CH3COO]-	333.06158	189.9
[M+Na-2H]-	295.02240	161.1
[M]+	274.04718	157.1
[M]-	274.04828	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe