CID 112706875

1314697-80-7

Structural Information

Molecular Formula

C₁₁H₁₂F₃NO

SMILES

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

InChI

InChI=1S/C11H12F3NO/c12-11(13,14)16-9-4-2-8(3-5-9)10(15)6-1-7-10/h2-5H,1,6-7,15H2

InChIKey

JEJLXNLECOMLBX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 231.0871 Da
Monoisotopic Mass: 2.7
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]+	232.09438	149.1
[M+Na]+	254.07632	155.7
[M-H]-	230.07982	151.6
[M+NH4]+	249.12092	162.0
[M+K]+	270.05026	155.7
[M+H-H2O]+	214.08436	136.1
[M+HCOO]-	276.08530	167.1
[M+CH3COO]-	290.10095	193.4
[M+Na-2H]-	252.06177	154.1
[M]+	231.08655	151.9
[M]-	231.08765	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe