CID 72210812

944903-89-3

Structural Information

Molecular Formula

C₉H₈F₃N₃

SMILES

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

InChI

InChI=1S/C9H8F3N3/c10-9(11,12)5-1-2-6-7(3-5)15-8(4-13)14-6/h1-3H,4,13H2,(H,14,15)

InChIKey

GBCHBEUIOXYVEW-UHFFFAOYSA-N

Compound name

[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.06703 Da
Monoisotopic Mass: 1.3
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]+	216.07431	141.6
[M+Na]+	238.05625	150.5
[M+NH4]+	233.10085	146.9
[M+K]+	254.03019	147.6
[M-H]-	214.05975	138.0
[M+Na-2H]-	236.04170	145.4
[M]+	215.06648	141.4
[M]-	215.06758	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe