CID 26985474

914637-51-7

Structural Information

Molecular Formula

C₈H₄BrF₃N₂

SMILES

C1=C(C=C2C(=C1C(F)(F)F)N=CN2)Br

InChI

InChI=1S/C8H4BrF3N2/c9-4-1-5(8(10,11)12)7-6(2-4)13-3-14-7/h1-3H,(H,13,14)

InChIKey

SLVHWGQGUCBGGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.951 Da
Monoisotopic Mass: 3.1
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]+	264.95828	148.3
[M+Na]+	286.94022	163.6
[M-H]-	262.94372	149.2
[M+NH4]+	281.98482	168.7
[M+K]+	302.91416	150.6
[M+H-H2O]+	246.94826	146.3
[M+HCOO]-	308.94920	164.4
[M+CH3COO]-	322.96485	188.5
[M+Na-2H]-	284.92567	156.0
[M]+	263.95045	163.6
[M]-	263.95155	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe