CID 71742696

1416439-44-5

Structural Information

Molecular Formula

C₁₁H₁₂F₃N

SMILES

C1CC(C1)(C2=CC=CC=C2C(F)(F)F)N

InChI

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

InChIKey

HPJZZIPRBCMSIO-UHFFFAOYSA-N

Compound name

1-[2-(trifluoromethyl)phenyl]cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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]+	216.09946	146.3
[M+Na]+	238.08140	153.1
[M-H]-	214.08490	148.8
[M+NH4]+	233.12600	159.9
[M+K]+	254.05534	152.5
[M+H-H2O]+	198.08944	133.5
[M+HCOO]-	260.09038	164.1
[M+CH3COO]-	274.10603	191.4
[M+Na-2H]-	236.06685	151.2
[M]+	215.09163	147.7
[M]-	215.09273	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe