CID 316673

61601-94-3

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: 171
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]+	319.096476	171.4
[M+Na]+	341.078418	182.1
[M-H]-	317.081924	176.3
[M+NH4]+	336.123023	185.6
[M+K]+	357.052358	175.4
[M+H-H2O]+	301.086460	163.9
[M+HCOO]-	363.087401	189.0
[M+CH3COO]-	377.103051	182.4
[M+Na-2H]-	339.063866	177.5
[M]+	318.08865142	172.3
[M]-	318.08974858	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe