CID 345432

7639-71-6

Structural Information

Molecular Formula

C₁₄H₉F₆N

SMILES

C1=CC(=CC=C1C(F)(F)F)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H9F6N/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8,21H

InChIKey

UZQWRVSLTFTELB-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 305.0639 Da
Monoisotopic Mass: 5.2
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]+	306.07118	162.2
[M+Na]+	328.05312	171.3
[M-H]-	304.05662	161.5
[M+NH4]+	323.09772	176.7
[M+K]+	344.02706	165.4
[M+H-H2O]+	288.06116	150.1
[M+HCOO]-	350.06210	177.8
[M+CH3COO]-	364.07775	205.4
[M+Na-2H]-	326.03857	166.7
[M]+	305.06335	153.0
[M]-	305.06445	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe