CID 55942

89426-99-3

Structural Information

Molecular Formula

C₈H₃BrClF₃N₂

SMILES

C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)Br)Cl

InChI

InChI=1S/C8H3BrClF3N2/c9-4-1-3(10)2-5-6(4)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)

InChIKey

LUKWKKYXNIHSRJ-UHFFFAOYSA-N

Compound name

4-bromo-6-chloro-2-(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.91202 Da
Monoisotopic Mass: 3.3
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]+	298.91930	152.3
[M+Na]+	320.90124	169.3
[M-H]-	296.90474	153.3
[M+NH4]+	315.94584	172.6
[M+K]+	336.87518	154.5
[M+H-H2O]+	280.90928	150.8
[M+HCOO]-	342.91022	163.9
[M+CH3COO]-	356.92587	193.1
[M+Na-2H]-	318.88669	159.1
[M]+	297.91147	169.8
[M]-	297.91257	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe