CID 388068

Nsc682532

Structural Information

Molecular Formula

C₁₁H₁₀Cl₂N₂O

SMILES

C1CC(OC1)C2=NC3=CC(=C(C=C3N2)Cl)Cl

InChI

InChI=1S/C11H10Cl2N2O/c12-6-4-8-9(5-7(6)13)15-11(14-8)10-2-1-3-16-10/h4-5,10H,1-3H2,(H,14,15)

InChIKey

MOOGYMXEQSWJOQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 256.01703 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]+	257.02431	154.8
[M+Na]+	279.00625	166.2
[M-H]-	255.00975	158.8
[M+NH4]+	274.05085	173.1
[M+K]+	294.98019	160.5
[M+H-H2O]+	239.01429	148.3
[M+HCOO]-	301.01523	165.0
[M+CH3COO]-	315.03088	167.1
[M+Na-2H]-	276.99170	156.9
[M]+	256.01648	156.9
[M]-	256.01758	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.