CID 86694838

1374145-25-1

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂O

SMILES

COCCN1C=NC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H11BrN2O/c1-14-5-4-13-7-12-9-6-8(11)2-3-10(9)13/h2-3,6-7H,4-5H2,1H3

InChIKey

FFUYWVOODFMGHI-UHFFFAOYSA-N

Compound name

5-bromo-1-(2-methoxyethyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 254.00548 Da
Monoisotopic Mass: 1.9
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]+	255.01276	146.3
[M+Na]+	276.99470	160.5
[M-H]-	252.99820	151.6
[M+NH4]+	272.03930	167.8
[M+K]+	292.96864	149.5
[M+H-H2O]+	237.00274	145.7
[M+HCOO]-	299.00368	167.9
[M+CH3COO]-	313.01933	191.1
[M+Na-2H]-	274.98015	154.9
[M]+	254.00493	169.2
[M]-	254.00603	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe