CID 2782755

444143-45-7

Structural Information

Molecular Formula

C₁₄H₉F₆N

SMILES

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

InChI

InChI=1S/C14H9F6N/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)8-1-3-12(21)4-2-8/h1-7H,21H2

InChIKey

MGGUROGTKGUOGP-UHFFFAOYSA-N

Compound name

4-[3,5-bis(trifluoromethyl)phenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 305.0639 Da
Monoisotopic Mass: 4.6
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	174.0
[M+Na]+	328.05312	180.2
[M+NH4]+	323.09772	176.7
[M+K]+	344.02706	175.3
[M-H]-	304.05662	169.8
[M+Na-2H]-	326.03857	176.6
[M]+	305.06335	173.4
[M]-	305.06445	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe