CID 5806

Dichloroisoproterenol

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂NO

SMILES

CC(C)NCC(C1=CC(=C(C=C1)Cl)Cl)O

InChI

InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3

InChIKey

VKMGSWIFEHZQRS-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 129
References: 362
Patents: 247.05307 Da
Monoisotopic Mass: 3.3
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]+	248.06035	152.7
[M+Na]+	270.04229	165.4
[M+NH4]+	265.08689	161.2
[M+K]+	286.01623	158.4
[M-H]-	246.04579	154.8
[M+Na-2H]-	268.02774	158.4
[M]+	247.05252	155.6
[M]-	247.05362	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe