CID 313196

4-chloro-5-methyl-1h-imidazole

Structural Information

Molecular Formula

SMILES

CC1=C(N=CN1)Cl

InChI

InChI=1S/C4H5ClN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)

InChIKey

QJHGJSHNFXKDQH-UHFFFAOYSA-N

Compound name

4-chloro-5-methyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 122
Patents: 116.01413 Da
Monoisotopic Mass: 1.4
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]+	117.021406	118.5
[M+Na]+	139.003348	129.2
[M-H]-	115.006854	118.4
[M+NH4]+	134.047953	140.6
[M+K]+	154.977288	125.9
[M+H-H2O]+	99.011390	112.9
[M+HCOO]-	161.012331	136.5
[M+CH3COO]-	175.027981	164.2
[M+Na-2H]-	136.988796	125.2
[M]+	116.01358142	118.3
[M]-	116.01467858	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe