CID 58023134

2095396-18-0

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

C1C(CC1(C2=CC=CC=C2)N)F

InChI

InChI=1S/C10H12FN/c11-9-6-10(12,7-9)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2

InChIKey

GDVVECWJYPMFLB-UHFFFAOYSA-N

Compound name

3-fluoro-1-phenylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 165.09538 Da
Monoisotopic Mass: 1.5
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]+	166.10266	133.7
[M+Na]+	188.08460	140.4
[M-H]-	164.08810	138.9
[M+NH4]+	183.12920	149.3
[M+K]+	204.05854	140.5
[M+H-H2O]+	148.09264	122.4
[M+HCOO]-	210.09358	155.6
[M+CH3COO]-	224.10923	183.4
[M+Na-2H]-	186.07005	139.9
[M]+	165.09483	137.7
[M]-	165.09593	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe