CID 2760745

811842-42-9

Structural Information

Molecular Formula

C₁₃H₁₀F₃N

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC=C2)N

InChI

InChI=1S/C13H10F3N/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(17)8-10/h1-8H,17H2

InChIKey

STZPUMRJVDKRJE-UHFFFAOYSA-N

Compound name

3-[3-(trifluoromethyl)phenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 237.07654 Da
Monoisotopic Mass: 3.9
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]+	238.08382	148.6
[M+Na]+	260.06576	157.5
[M-H]-	236.06926	151.4
[M+NH4]+	255.11036	165.9
[M+K]+	276.03970	152.4
[M+H-H2O]+	220.07380	139.3
[M+HCOO]-	282.07474	168.9
[M+CH3COO]-	296.09039	193.4
[M+Na-2H]-	258.05121	153.8
[M]+	237.07599	142.4
[M]-	237.07709	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe