CID 30668

Lofexidine

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O

SMILES

CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)

InChIKey

KSMAGQUYOIHWFS-UHFFFAOYSA-N

Compound name

2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 208
References: 5555
Patents: 258.03265 Da
Monoisotopic Mass: 2.6
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]+	259.03993	153.7
[M+Na]+	281.02187	167.5
[M+NH4]+	276.06647	162.0
[M+K]+	296.99581	161.8
[M-H]-	257.02537	155.7
[M+Na-2H]-	279.00732	160.5
[M]+	258.03210	156.7
[M]-	258.03320	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe