CID 120229

399-77-9

Structural Information

Molecular Formula

C₉H₇F₃N₂

SMILES

CC1=CC2=C(C=C1)N=C(N2)C(F)(F)F

InChI

InChI=1S/C9H7F3N2/c1-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)

InChIKey

OLLDPPSRICPSTA-UHFFFAOYSA-N

Compound name

6-methyl-2-(trifluoromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 28
Patents: 200.05614 Da
Monoisotopic Mass: 2.8
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]+	201.06342	141.2
[M+Na]+	223.04536	151.5
[M+NH4]+	218.08996	147.1
[M+K]+	239.01930	147.8
[M-H]-	199.04886	137.5
[M+Na-2H]-	221.03081	145.5
[M]+	200.05559	141.4
[M]-	200.05669	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe