CID 12002825

641571-11-1

Structural Information

Molecular Formula

C₁₁H₁₀F₃N₃

SMILES

CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F

InChI

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

InChIKey

WWTGXYAJVXKEKL-UHFFFAOYSA-N

Compound name

3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 543
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