CID 82496945

5-bromo-1-cyclopropyl-1h-1,3-benzodiazole

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: 16
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]+	237.00218	139.9
[M+Na]+	258.98412	146.8
[M+NH4]+	254.02872	146.4
[M+K]+	274.95806	148.0
[M-H]-	234.98762	147.5
[M+Na-2H]-	256.96957	147.3
[M]+	235.99435	143.0
[M]-	235.99545	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe