CID 82119

7682-32-8

Structural Information

Molecular Formula

C₈H₂Br₃F₃N₂

SMILES

C1=C2C(=C(C(=C1Br)Br)Br)N=C(N2)C(F)(F)F

InChI

InChI=1S/C8H2Br3F3N2/c9-2-1-3-6(5(11)4(2)10)16-7(15-3)8(12,13)14/h1H,(H,15,16)

InChIKey

UULQGHQIXNPCOU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 419.77203 Da
Monoisotopic Mass: 4.1
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]+	420.77931	155.2
[M+Na]+	442.76125	165.6
[M-H]-	418.76475	158.0
[M+NH4]+	437.80585	169.0
[M+K]+	458.73519	149.8
[M+H-H2O]+	402.76929	169.3
[M+HCOO]-	464.77023	162.5
[M+CH3COO]-	478.78588	224.0
[M+Na-2H]-	440.74670	159.5
[M]+	419.77148	194.3
[M]-	419.77258	194.3

Literature stripe

literature stripe

Patent stripe

patents stripe