CID 142938

2,4-dichlorophenethylamine

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1Cl)Cl)CCN

InChI

InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2

InChIKey

VHJKDOLGYMULOP-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 878
Patents: 189.0112 Da
Monoisotopic Mass: 2.5
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]+	190.01848	136.5
[M+Na]+	212.00042	146.4
[M-H]-	188.00392	139.2
[M+NH4]+	207.04502	157.3
[M+K]+	227.97436	140.8
[M+H-H2O]+	172.00846	132.8
[M+HCOO]-	234.00940	152.0
[M+CH3COO]-	248.02505	183.3
[M+Na-2H]-	209.98587	141.6
[M]+	189.01065	137.9
[M]-	189.01175	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe