CID 7548

N-phenyl-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula

C₁₃H₁₀F₃N

SMILES

C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

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

InChIKey

WJCRAVDPIMWFPG-UHFFFAOYSA-N

Compound name

N-phenyl-3-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 130
Patents: 237.07654 Da
Monoisotopic Mass: 4.3
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]+	238.08382	147.9
[M+Na]+	260.06576	155.8
[M-H]-	236.06926	150.8
[M+NH4]+	255.11036	165.1
[M+K]+	276.03970	151.0
[M+H-H2O]+	220.07380	138.3
[M+HCOO]-	282.07474	168.9
[M+CH3COO]-	296.09039	192.9
[M+Na-2H]-	258.05121	155.0
[M]+	237.07599	142.4
[M]-	237.07709	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe