CID 42597042

5-chloro-1-cyclopentyl-1h-benzimidazole

Structural Information

Molecular Formula

C₁₂H₁₃ClN₂

SMILES

C1CCC(C1)N2C=NC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C12H13ClN2/c13-9-5-6-12-11(7-9)14-8-15(12)10-3-1-2-4-10/h5-8,10H,1-4H2

InChIKey

MALJBBGZYFOXJG-UHFFFAOYSA-N

Compound name

5-chloro-1-cyclopentylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.07672 Da
Monoisotopic Mass: 3.2
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]+	221.08400	148.4
[M+Na]+	243.06594	158.8
[M-H]-	219.06944	153.6
[M+NH4]+	238.11054	169.6
[M+K]+	259.03988	153.4
[M+H-H2O]+	203.07398	140.9
[M+HCOO]-	265.07492	166.0
[M+CH3COO]-	279.09057	161.7
[M+Na-2H]-	241.05139	151.6
[M]+	220.07617	149.5
[M]-	220.07727	149.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.