CID 129206075

2,4,5,6-phenanthrenetetrol

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O

InChI

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

InChIKey

JSLUYTKYLIDAEB-UHFFFAOYSA-N

Compound name

phenanthrene-2,4,5,6-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 242.0579 Da
Monoisotopic Mass: 3.0
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]+	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