CID 55253923

2418731-95-8

Structural Information

Molecular Formula

C₇H₈Cl₂N₂

SMILES

C1=C(C(=C(C=N1)Cl)CCN)Cl

InChI

InChI=1S/C7H8Cl2N2/c8-6-3-11-4-7(9)5(6)1-2-10/h3-4H,1-2,10H2

InChIKey

SBUIYZHUWTVUME-UHFFFAOYSA-N

Compound name

2-(3,5-dichloropyridin-4-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 190.00645 Da
Monoisotopic Mass: 1.4
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]+	191.01373	134.9
[M+Na]+	212.99567	149.5
[M+NH4]+	208.04027	144.2
[M+K]+	228.96961	141.6
[M-H]-	188.99917	137.5
[M+Na-2H]-	210.98112	142.6
[M]+	190.00590	138.3
[M]-	190.00700	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe