CID 316673

39215-21-9

Structural Information

Molecular Formula

C₂₀H₁₄O₄

SMILES

C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)O)O)O)O

InChI

InChI=1S/C20H14O4/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,21-24H

InChIKey

OOSHJGKXQBJASF-UHFFFAOYSA-N

Compound name

1-(2,3-dihydroxynaphthalen-1-yl)naphthalene-2,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 318.0892 Da
Monoisotopic Mass: 4.6
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]+	319.09648	173.0
[M+Na]+	341.07842	190.8
[M+NH4]+	336.12302	181.7
[M+K]+	357.05236	182.6
[M-H]-	317.08192	178.2
[M+Na-2H]-	339.06387	181.3
[M]+	318.08865	177.3
[M]-	318.08975	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe