CID 71742700

1439902-32-5

Structural Information

Molecular Formula

C₁₁H₁₂F₃N

SMILES

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

InChI

InChI=1S/C11H12F3N/c12-11(13,14)9-4-2-8(3-5-9)10(15)6-1-7-10/h2-5H,1,6-7,15H2

InChIKey

XEYCCHKMMMJOHM-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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	154.3
[M+Na]+	238.08140	159.1
[M+NH4]+	233.12600	158.4
[M+K]+	254.05534	153.2
[M-H]-	214.08490	151.1
[M+Na-2H]-	236.06685	158.1
[M]+	215.09163	152.9
[M]-	215.09273	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe