CID 80207492

1807896-13-4

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

C1C(CC1N)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C10H11F2N/c11-8-1-6(2-9(12)5-8)7-3-10(13)4-7/h1-2,5,7,10H,3-4,13H2

InChIKey

ZBEHDEHDILIUCW-UHFFFAOYSA-N

Compound name

3-(3,5-difluorophenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 183.08595 Da
Monoisotopic Mass: 1.8
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]+	184.09323	135.8
[M+Na]+	206.07517	143.3
[M-H]-	182.07867	139.8
[M+NH4]+	201.11977	149.2
[M+K]+	222.04911	143.0
[M+H-H2O]+	166.08321	122.9
[M+HCOO]-	228.08415	156.5
[M+CH3COO]-	242.09980	188.7
[M+Na-2H]-	204.06062	139.0
[M]+	183.08540	139.1
[M]-	183.08650	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe