CID 19595567

1-[3-(trifluoromethyl)phenyl]propylamine

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

CCC(C1=CC(=CC=C1)C(F)(F)F)N

InChI

InChI=1S/C10H12F3N/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6,9H,2,14H2,1H3

InChIKey

ZZTDGFLVDISOIK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 203.09218 Da
Monoisotopic Mass: 2.6
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]+	204.09946	146.4
[M+Na]+	226.08140	154.8
[M+NH4]+	221.12600	152.4
[M+K]+	242.05534	149.6
[M-H]-	202.08490	144.2
[M+Na-2H]-	224.06685	150.5
[M]+	203.09163	146.7
[M]-	203.09273	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe