CID 7018000

175201-56-6

Structural Information

Molecular Formula

C₅H₆Cl₂N₂

SMILES

CC1=NC(=C(N1C)Cl)Cl

InChI

InChI=1S/C5H6Cl2N2/c1-3-8-4(6)5(7)9(3)2/h1-2H3

InChIKey

OWNKAADCKPAOHY-UHFFFAOYSA-N

Compound name

4,5-dichloro-1,2-dimethylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 163.9908 Da
Monoisotopic Mass: 1.1
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]+	164.99808	128.2
[M+Na]+	186.98002	140.9
[M-H]-	162.98352	129.2
[M+NH4]+	182.02462	149.9
[M+K]+	202.95396	136.7
[M+H-H2O]+	146.98806	123.1
[M+HCOO]-	208.98900	142.0
[M+CH3COO]-	223.00465	177.0
[M+Na-2H]-	184.96547	132.5
[M]+	163.99025	131.6
[M]-	163.99135	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe