CID 10489356

87233-54-3

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O

SMILES

CCOCCN1C2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C11H13ClN2O/c1-2-15-8-7-14-10-6-4-3-5-9(10)13-11(14)12/h3-6H,2,7-8H2,1H3

InChIKey

AIQPWDHVCUXRBI-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-ethoxyethyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 224.07164 Da
Monoisotopic Mass: 2.6
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]+	225.07892	146.8
[M+Na]+	247.06086	158.3
[M-H]-	223.06436	148.9
[M+NH4]+	242.10546	166.6
[M+K]+	263.03480	153.6
[M+H-H2O]+	207.06890	139.8
[M+HCOO]-	269.06984	165.6
[M+CH3COO]-	283.08549	187.9
[M+Na-2H]-	245.04631	153.4
[M]+	224.07109	153.4
[M]-	224.07219	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe