CID 76064

2818-76-0

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

CCN1C(=NC2=C1C=CC(=C2)Cl)C

InChI

InChI=1S/C10H11ClN2/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13/h4-6H,3H2,1-2H3

InChIKey

WOUUWYXDNDKIGX-UHFFFAOYSA-N

Compound name

5-chloro-1-ethyl-2-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 6
Patents: 194.06108 Da
Monoisotopic Mass: 2.8
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]+	195.06836	138.0
[M+Na]+	217.05030	154.2
[M+NH4]+	212.09490	147.8
[M+K]+	233.02424	147.6
[M-H]-	193.05380	140.3
[M+Na-2H]-	215.03575	145.5
[M]+	194.06053	141.4
[M]-	194.06163	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe