CID 217243

38339-08-1

Structural Information

Molecular Formula

C₉H₁₂Cl₂N₂O

SMILES

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

InChI

InChI=1S/C9H12Cl2N2O/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,8,13-14H,4,12H2,1H3

InChIKey

YIRBPIVMKFAGOV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 234.03267 Da
Monoisotopic Mass: 1.2
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]+	235.03995	148.9
[M+Na]+	257.02189	157.8
[M-H]-	233.02539	150.6
[M+NH4]+	252.06649	167.2
[M+K]+	272.99583	152.1
[M+H-H2O]+	217.02993	145.3
[M+HCOO]-	279.03087	163.0
[M+CH3COO]-	293.04652	192.8
[M+Na-2H]-	255.00734	151.4
[M]+	234.03212	149.6
[M]-	234.03322	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe