CID 3714452

2-(2-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula

C₁₁H₁₀F₃N₃

SMILES

CC1=NC=CN1C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C11H10F3N3/c1-7-16-4-5-17(7)10-3-2-8(6-9(10)15)11(12,13)14/h2-6H,15H2,1H3

InChIKey

LXUHLROZWSBJEL-UHFFFAOYSA-N

Compound name

2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 241.08269 Da
Monoisotopic Mass: 2.3
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]+	242.08997	153.1
[M+Na]+	264.07191	162.5
[M+NH4]+	259.11651	158.3
[M+K]+	280.04585	159.1
[M-H]-	240.07541	151.3
[M+Na-2H]-	262.05736	158.2
[M]+	241.08214	153.6
[M]-	241.08324	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe