CID 3258521

1h-benzimidazole, 2-[5-chloro-2-(hexyloxy)phenyl]-

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂O

SMILES

CCCCCCOC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H21ClN2O/c1-2-3-4-7-12-23-18-11-10-14(20)13-15(18)19-21-16-8-5-6-9-17(16)22-19/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,21,22)

InChIKey

FHZOYACRIOYMLX-UHFFFAOYSA-N

Compound name

2-(5-chloro-2-hexoxyphenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.13425 Da
Monoisotopic Mass: 5.6
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]+	329.141526	178.2
[M+Na]+	351.123468	188.0
[M-H]-	327.126974	181.7
[M+NH4]+	346.168073	192.8
[M+K]+	367.097408	179.8
[M+H-H2O]+	311.131510	169.3
[M+HCOO]-	373.132451	194.1
[M+CH3COO]-	387.148101	188.9
[M+Na-2H]-	349.108916	181.5
[M]+	328.13370142	183.7
[M]-	328.13479858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.