CID 82496945

1368759-44-7

Structural Information

Molecular Formula

C₁₀H₉BrN₂

SMILES

C1CC1N2C=NC3=C2C=CC(=C3)Br

InChI

InChI=1S/C10H9BrN2/c11-7-1-4-10-9(5-7)12-6-13(10)8-2-3-8/h1,4-6,8H,2-3H2

InChIKey

HNEGNHWSDNVYIO-UHFFFAOYSA-N

Compound name

5-bromo-1-cyclopropylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 235.9949 Da
Monoisotopic Mass: 2.6
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]+	237.002176	147.8
[M+Na]+	258.984118	164.0
[M-H]-	234.987624	156.7
[M+NH4]+	254.028723	165.4
[M+K]+	274.958058	151.6
[M+H-H2O]+	218.992160	147.0
[M+HCOO]-	280.993101	169.6
[M+CH3COO]-	295.008751	163.3
[M+Na-2H]-	256.969566	156.0
[M]+	235.99435142	169.2
[M]-	235.99544858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe