CID 2763157

Bromoclenbuterol

Structural Information

Molecular Formula

C₁₂H₁₈BrClN₂O

SMILES

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

InChI

InChI=1S/C12H18BrClN2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3

InChIKey

RBROAKIHDILEQG-UHFFFAOYSA-N

Compound name

1-(4-amino-3-bromo-5-chlorophenyl)-2-(tert-butylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 320.0291 Da
Monoisotopic Mass: 2.3
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]+	321.036376	167.2
[M+Na]+	343.018318	177.8
[M-H]-	319.021824	171.7
[M+NH4]+	338.062923	185.2
[M+K]+	358.992258	163.5
[M+H-H2O]+	303.026360	166.9
[M+HCOO]-	365.027301	181.2
[M+CH3COO]-	379.042951	205.9
[M+Na-2H]-	341.003766	170.3
[M]+	320.02855142	185.2
[M]-	320.02964858	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe