CID 42600436

2-bromo-5,6-dichloro-1-cyclopentyl-1h-benzimidazole

Structural Information

Molecular Formula

C₁₂H₁₁BrCl₂N₂

SMILES

C1CCC(C1)N2C3=CC(=C(C=C3N=C2Br)Cl)Cl

InChI

InChI=1S/C12H11BrCl2N2/c13-12-16-10-5-8(14)9(15)6-11(10)17(12)7-3-1-2-4-7/h5-7H,1-4H2

InChIKey

ZRNFQCSLTIDTDW-UHFFFAOYSA-N

Compound name

2-bromo-5,6-dichloro-1-cyclopentylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 331.94827 Da
Monoisotopic Mass: 4.9
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]+	332.95555	167.2
[M+Na]+	354.93749	183.0
[M-H]-	330.94099	174.8
[M+NH4]+	349.98209	188.6
[M+K]+	370.91143	168.7
[M+H-H2O]+	314.94553	167.0
[M+HCOO]-	376.94647	177.8
[M+CH3COO]-	390.96212	181.4
[M+Na-2H]-	352.92294	169.3
[M]+	331.94772	188.1
[M]-	331.94882	188.1

Literature stripe

literature stripe

Patent stripe

patents stripe