CID 44590807

1145670-42-3

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CC(=O)C1=NC2=C(N1C)C=C(C=C2)Cl

InChI

InChI=1S/C10H9ClN2O/c1-6(14)10-12-8-4-3-7(11)5-9(8)13(10)2/h3-5H,1-2H3

InChIKey

AHWIFAIMYTZUCC-UHFFFAOYSA-N

Compound name

1-(6-chloro-1-methylbenzimidazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 208.04034 Da
Monoisotopic Mass: 2.4
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]+	209.047616	140.8
[M+Na]+	231.029558	153.8
[M-H]-	207.033064	143.8
[M+NH4]+	226.074163	161.6
[M+K]+	247.003498	149.1
[M+H-H2O]+	191.037600	134.7
[M+HCOO]-	253.038541	159.2
[M+CH3COO]-	267.054191	186.1
[M+Na-2H]-	229.015006	146.2
[M]+	208.03979142	146.3
[M]-	208.04088858	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.