CID 28937888

{1-[3-(trifluoromethyl)phenyl]cyclopropyl}methanamine

Structural Information

Molecular Formula

C₁₁H₁₂F₃N

SMILES

C1CC1(CN)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-8(6-9)10(7-15)4-5-10/h1-3,6H,4-5,7,15H2

InChIKey

QLNBDTJGDJMHKX-UHFFFAOYSA-N

Compound name

[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 215.09218 Da
Monoisotopic Mass: 2.4
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]+	216.099456	136.9
[M+Na]+	238.081398	146.6
[M-H]-	214.084904	140.5
[M+NH4]+	233.126003	152.2
[M+K]+	254.055338	143.1
[M+H-H2O]+	198.089440	129.0
[M+HCOO]-	260.090381	156.9
[M+CH3COO]-	274.106031	191.6
[M+Na-2H]-	236.066846	143.5
[M]+	215.09163142	133.9
[M]-	215.09272858	133.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.