CID 20770441

5-bromo-1-isopropylbenzoimidazole

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂

SMILES

CC(C)N1C=NC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H11BrN2/c1-7(2)13-6-12-9-5-8(11)3-4-10(9)13/h3-7H,1-2H3

InChIKey

MVNOCKJHUYTFKL-UHFFFAOYSA-N

Compound name

5-bromo-1-propan-2-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 238.01056 Da
Monoisotopic Mass: 2.8
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]+	239.01784	144.1
[M+Na]+	260.99978	158.2
[M-H]-	237.00328	149.7
[M+NH4]+	256.04438	166.3
[M+K]+	276.97372	147.2
[M+H-H2O]+	221.00782	143.9
[M+HCOO]-	283.00876	164.7
[M+CH3COO]-	297.02441	159.9
[M+Na-2H]-	258.98523	151.7
[M]+	238.01001	165.1
[M]-	238.01111	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe