CID 217244

38339-09-2

Structural Information

Molecular Formula

C₁₀H₁₄Cl₂N₂O

SMILES

CCNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O

InChI

InChI=1S/C10H14Cl2N2O/c1-2-14-5-9(15)6-3-7(11)10(13)8(12)4-6/h3-4,9,14-15H,2,5,13H2,1H3

InChIKey

HPHLNQZPCJAMMJ-UHFFFAOYSA-N

Compound name

1-(4-amino-3,5-dichlorophenyl)-2-(ethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 248.04832 Da
Monoisotopic Mass: 1.6
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]+	249.05560	153.5
[M+Na]+	271.03754	161.9
[M-H]-	247.04104	155.0
[M+NH4]+	266.08214	171.2
[M+K]+	287.01148	156.0
[M+H-H2O]+	231.04558	149.7
[M+HCOO]-	293.04652	167.2
[M+CH3COO]-	307.06217	195.8
[M+Na-2H]-	269.02299	155.4
[M]+	248.04777	154.5
[M]-	248.04887	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe