CID 26823

14689-60-2

Structural Information

Molecular Formula

C₈HBr₃ClF₃N₂

SMILES

C12=C(C(=C(C(=C1Br)Cl)Br)Br)N=C(N2)C(F)(F)F

InChI

InChI=1S/C8HBr3ClF3N2/c9-1-2(10)5-6(3(11)4(1)12)17-7(16-5)8(13,14)15/h(H,16,17)

InChIKey

CHZJVQDAPMZVIA-UHFFFAOYSA-N

Compound name

4,5,7-tribromo-6-chloro-2-(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 453.73306 Da
Monoisotopic Mass: 4.7
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]+	454.740336	160.0
[M+Na]+	476.722278	171.8
[M-H]-	452.725784	162.9
[M+NH4]+	471.766883	173.8
[M+K]+	492.696218	154.6
[M+H-H2O]+	436.730320	174.2
[M+HCOO]-	498.731261	164.5
[M+CH3COO]-	512.746911	226.6
[M+Na-2H]-	474.707726	163.6
[M]+	453.73251142	200.1
[M]-	453.73360858	200.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe