CID 217248

38339-13-8

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂N₂O

SMILES

C1CC1NCC(C2=CC(=C(C(=C2)Cl)N)Cl)O

InChI

InChI=1S/C11H14Cl2N2O/c12-8-3-6(4-9(13)11(8)14)10(16)5-15-7-1-2-7/h3-4,7,10,15-16H,1-2,5,14H2

InChIKey

FRLAHIZRTFRSMT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 260.0483 Da
Monoisotopic Mass: 1.8
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]+	261.055576	146.1
[M+Na]+	283.037518	155.5
[M-H]-	259.041024	151.2
[M+NH4]+	278.082123	158.5
[M+K]+	299.011458	148.6
[M+H-H2O]+	243.045560	141.7
[M+HCOO]-	305.046501	160.5
[M+CH3COO]-	319.062151	199.8
[M+Na-2H]-	281.022966	149.0
[M]+	260.04775142	148.9
[M]-	260.04884858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe