CID 3012561

Chembl185830

Structural Information

Molecular Formula

C₆H₇BrCl₂N₂O₂

SMILES

C(COCN1C(=C(N=C1Br)Cl)Cl)O

InChI

InChI=1S/C6H7BrCl2N2O2/c7-6-10-4(8)5(9)11(6)3-13-2-1-12/h12H,1-3H2

InChIKey

RSRAPDLUCQVEFN-UHFFFAOYSA-N

Compound name

2-[(2-bromo-4,5-dichloroimidazol-1-yl)methoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 287.9068 Da
Monoisotopic Mass: 2.2
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]+	288.91408	145.1
[M+Na]+	310.89602	160.3
[M-H]-	286.89952	147.7
[M+NH4]+	305.94062	165.0
[M+K]+	326.86996	146.8
[M+H-H2O]+	270.90406	145.6
[M+HCOO]-	332.90500	156.0
[M+CH3COO]-	346.92065	191.1
[M+Na-2H]-	308.88147	150.2
[M]+	287.90625	167.9
[M]-	287.90735	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.