CID 13061697

2-chloro-1-isopropyl-1h-benzo[d]imidazole

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

CC(C)N1C2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C10H11ClN2/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3

InChIKey

MAVNZJBNKICAAC-UHFFFAOYSA-N

Compound name

2-chloro-1-propan-2-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 194.06108 Da
Monoisotopic Mass: 3.1
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]+	195.06836	139.1
[M+Na]+	217.05030	150.9
[M-H]-	193.05380	141.6
[M+NH4]+	212.09490	160.2
[M+K]+	233.02424	146.3
[M+H-H2O]+	177.05834	132.7
[M+HCOO]-	239.05928	157.1
[M+CH3COO]-	253.07493	153.2
[M+Na-2H]-	215.03575	145.1
[M]+	194.06053	143.4
[M]-	194.06163	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe