CID 388071

Nsc682534

Structural Information

Molecular Formula

C₁₂H₁₂Cl₂N₂O

SMILES

C1CCOC(C1)C2=NC3=CC(=C(C=C3N2)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2O/c13-7-5-9-10(6-8(7)14)16-12(15-9)11-3-1-2-4-17-11/h5-6,11H,1-4H2,(H,15,16)

InChIKey

GMCIMYKLZYKGHH-UHFFFAOYSA-N

Compound name

5,6-dichloro-2-(oxan-2-yl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 270.03265 Da
Monoisotopic Mass: 3.3
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]+	271.03993	157.3
[M+Na]+	293.02187	167.5
[M-H]-	269.02537	160.6
[M+NH4]+	288.06647	173.2
[M+K]+	308.99581	161.5
[M+H-H2O]+	253.02991	150.1
[M+HCOO]-	315.03085	165.1
[M+CH3COO]-	329.04650	168.6
[M+Na-2H]-	291.00732	160.9
[M]+	270.03210	157.8
[M]-	270.03320	157.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.