CID 12530821

N-ethyl-3-(trifluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula

C₉H₁₀F₃N

SMILES

CCNC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C9H10F3N/c1-2-13-8-5-3-4-7(6-8)9(10,11)12/h3-6,13H,2H2,1H3

InChIKey

NKVRBCWUWUEDLT-UHFFFAOYSA-N

Compound name

N-ethyl-3-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 189.07654 Da
Monoisotopic Mass: 3.7
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]+	190.08382	142.0
[M+Na]+	212.06576	151.2
[M+NH4]+	207.11036	148.4
[M+K]+	228.03970	145.3
[M-H]-	188.06926	140.2
[M+Na-2H]-	210.05121	147.1
[M]+	189.07599	142.6
[M]-	189.07709	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe