CID 68063

Anthracene-1,4,9,10-tetraol

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=C2O)O)O)O

InChI

InChI=1S/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-18H

InChIKey

BKNBVEKCHVXGPH-UHFFFAOYSA-N

Compound name

anthracene-1,4,9,10-tetrol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 1189
Patents: 242.0579 Da
Monoisotopic Mass: 3.5
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]+	243.065176	148.5
[M+Na]+	265.047118	160.0
[M-H]-	241.050624	150.5
[M+NH4]+	260.091723	166.3
[M+K]+	281.021058	154.6
[M+H-H2O]+	225.055160	143.1
[M+HCOO]-	287.056101	167.1
[M+CH3COO]-	301.071751	161.1
[M+Na-2H]-	263.032566	156.3
[M]+	242.05735142	149.7
[M]-	242.05844858	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe