CID 19797640

104774-87-0

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

C1=CC(=CC(=C1)C(F)(F)F)CCCN

InChI

InChI=1S/C10H12F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,2,4,6,14H2

InChIKey

JMTLMFBJIQWJPW-UHFFFAOYSA-N

Compound name

3-[3-(trifluoromethyl)phenyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 203.09218 Da
Monoisotopic Mass: 2.5
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]+	204.09946	146.1
[M+Na]+	226.08140	154.8
[M+NH4]+	221.12600	152.2
[M+K]+	242.05534	148.9
[M-H]-	202.08490	144.0
[M+Na-2H]-	224.06685	150.5
[M]+	203.09163	146.4
[M]-	203.09273	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe