CID 18476

3156-21-6

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂N₂O

SMILES

C1=CC=C2C(=C1)NC(=N2)COC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H10Cl2N2O/c15-9-5-6-13(10(16)7-9)19-8-14-17-11-3-1-2-4-12(11)18-14/h1-7H,8H2,(H,17,18)

InChIKey

CXKZUNIQSJXPPO-UHFFFAOYSA-N

Compound name

2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 23
Patents: 292.01703 Da
Monoisotopic Mass: 4.2
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]+	293.02431	161.1
[M+Na]+	315.00625	173.4
[M-H]-	291.00975	164.6
[M+NH4]+	310.05085	177.6
[M+K]+	330.98019	165.3
[M+H-H2O]+	275.01429	153.5
[M+HCOO]-	337.01523	173.5
[M+CH3COO]-	351.03088	173.1
[M+Na-2H]-	312.99170	166.3
[M]+	292.01648	166.0
[M]-	292.01758	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe