CID 19213

5,8-dichloronaphthalen-1-amine

Structural Information

Molecular Formula

C₁₀H₇Cl₂N

SMILES

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

InChI

InChI=1S/C10H7Cl2N/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5H,13H2

InChIKey

XRUHWPCWXZKWDO-UHFFFAOYSA-N

Compound name

5,8-dichloronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 210.99556 Da
Monoisotopic Mass: 3.7
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]+	212.00284	138.6
[M+Na]+	233.98478	155.4
[M+NH4]+	229.02938	149.7
[M+K]+	249.95872	146.1
[M-H]-	209.98828	143.3
[M+Na-2H]-	231.97023	147.4
[M]+	210.99501	143.2
[M]-	210.99611	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe