CID 129718625

Clonidine chloride

Structural Information

Molecular Formula

C₉H₈Cl₃N₃

SMILES

C1CN(C(=N1)NC2=C(C=CC=C2Cl)Cl)Cl

InChI

InChI=1S/C9H8Cl3N3/c10-6-2-1-3-7(11)8(6)14-9-13-4-5-15(9)12/h1-3H,4-5H2,(H,13,14)

InChIKey

HSDDVRPAQSKOCJ-UHFFFAOYSA-N

Compound name

1-chloro-N-(2,6-dichlorophenyl)-4,5-dihydroimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.9784 Da
Monoisotopic Mass: 2.7
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]+	263.98568	154.8
[M+Na]+	285.96762	165.1
[M-H]-	261.97112	156.9
[M+NH4]+	281.01222	171.6
[M+K]+	301.94156	158.6
[M+H-H2O]+	245.97566	147.7
[M+HCOO]-	307.97660	162.7
[M+CH3COO]-	321.99225	165.9
[M+Na-2H]-	283.95307	157.2
[M]+	262.97785	155.5
[M]-	262.97895	155.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.