CID 16860

2338-31-0

Structural Information

Molecular Formula

C₈H₄ClF₃N₂

SMILES

C1=CC2=C(C(=C1)Cl)N=C(N2)C(F)(F)F

InChI

InChI=1S/C8H4ClF3N2/c9-4-2-1-3-5-6(4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)

InChIKey

WUDKQPQAAUQCLT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 220.00151 Da
Monoisotopic Mass: 2.9
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]+	221.00879	140.0
[M+Na]+	242.99073	151.1
[M+NH4]+	238.03533	146.3
[M+K]+	258.96467	147.0
[M-H]-	218.99423	136.4
[M+Na-2H]-	240.97618	144.8
[M]+	220.00096	140.6
[M]-	220.00206	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe