CID 2782709

57688-34-3

Structural Information

Molecular Formula

C₁₃H₁₀F₃N

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N)C(F)(F)F

InChI

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

InChIKey

PDKIAMYXBRKPBW-UHFFFAOYSA-N

Compound name

4-[4-(trifluoromethyl)phenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 237.07654 Da
Monoisotopic Mass: 4.0
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

literature stripe

Patent stripe

patents stripe