CID 11644107

10057-46-2

Structural Information

Molecular Formula

C₈H₆F₃N₃

SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=N2)N

InChI

InChI=1S/C8H6F3N3/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H3,12,13,14)

InChIKey

CKIJAMRTNUPVAH-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 201.05138 Da
Monoisotopic Mass: 1.6
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]+	202.05866	137.3
[M+Na]+	224.04060	146.4
[M+NH4]+	219.08520	142.8
[M+K]+	240.01454	143.7
[M-H]-	200.04410	133.7
[M+Na-2H]-	222.02605	141.4
[M]+	201.05083	137.2
[M]-	201.05193	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe