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: 209
References: 5896
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]+	259.039926	154.0
[M+Na]+	281.021868	162.8
[M-H]-	257.025374	155.9
[M+NH4]+	276.066473	170.4
[M+K]+	296.995808	156.9
[M+H-H2O]+	241.029910	146.9
[M+HCOO]-	303.030851	163.8
[M+CH3COO]-	317.046501	165.2
[M+Na-2H]-	279.007316	155.6
[M]+	258.03210142	154.9
[M]-	258.03319858	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe