CID 4656

P-iodoclonidine

Structural Information

Molecular Formula

C₉H₈Cl₂IN₃

SMILES

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

InChI

InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)

InChIKey

HSRPTPAPMBHRRJ-UHFFFAOYSA-N

Compound name

N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 52
References: 189
Patents: 354.914 Da
Monoisotopic Mass: 2.2
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]+	355.92128	154.1
[M+Na]+	377.90322	157.0
[M-H]-	353.90672	149.5
[M+NH4]+	372.94782	166.3
[M+K]+	393.87716	156.1
[M+H-H2O]+	337.91126	143.8
[M+HCOO]-	399.91220	161.8
[M+CH3COO]-	413.92785	161.6
[M+Na-2H]-	375.88867	146.1
[M]+	354.91345	150.8
[M]-	354.91455	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe