CID 76927

3393-59-7

Structural Information

Molecular Formula

C₈H₂Cl₃F₃N₂

SMILES

C1=C(C2=C(C(=C1Cl)Cl)NC(=N2)C(F)(F)F)Cl

InChI

InChI=1S/C8H2Cl3F3N2/c9-2-1-3(10)5-6(4(2)11)16-7(15-5)8(12,13)14/h1H,(H,15,16)

InChIKey

ZVFDYQZOXSAMSR-UHFFFAOYSA-N

Compound name

4,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 287.92355 Da
Monoisotopic Mass: 3.8
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]+	288.93083	149.0
[M+Na]+	310.91277	163.5
[M-H]-	286.91627	145.2
[M+NH4]+	305.95737	166.2
[M+K]+	326.88671	155.4
[M+H-H2O]+	270.92081	141.8
[M+HCOO]-	332.92175	151.6
[M+CH3COO]-	346.93740	160.3
[M+Na-2H]-	308.89822	152.4
[M]+	287.92300	149.2
[M]-	287.92410	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe