CID 91663064

3,3-difluoro-1-phenylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

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

InChI

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

InChIKey

OOEXLKOSNFZYTC-UHFFFAOYSA-N

Compound name

3,3-difluoro-1-phenylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	141.3
[M+Na]+	206.07517	147.8
[M+NH4]+	201.11977	148.2
[M+K]+	222.04911	139.6
[M-H]-	182.07867	140.4
[M+Na-2H]-	204.06062	148.3
[M]+	183.08540	141.0
[M]-	183.08650	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe