CID 74085

1574-18-1

Structural Information

Molecular Formula

C₁₀H₆Cl₂O

SMILES

C1=CC2=C(C=CC(=C2C(=C1)O)Cl)Cl

InChI

InChI=1S/C10H6Cl2O/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5,13H

InChIKey

KEGNUIZNBCHWLZ-UHFFFAOYSA-N

Compound name

5,8-dichloronaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 218
Patents: 211.97957 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]+	212.98685	137.1
[M+Na]+	234.96879	149.1
[M-H]-	210.97229	140.4
[M+NH4]+	230.01339	158.2
[M+K]+	250.94273	142.7
[M+H-H2O]+	194.97683	133.8
[M+HCOO]-	256.97777	150.3
[M+CH3COO]-	270.99342	151.0
[M+Na-2H]-	232.95424	144.3
[M]+	211.97902	140.2
[M]-	211.98012	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe