CID 72212378

1780237-68-4

Structural Information

Molecular Formula

C₈H₁₅F₂N

SMILES

C1CC(CCC1CCN)(F)F

InChI

InChI=1S/C8H15F2N/c9-8(10)4-1-7(2-5-8)3-6-11/h7H,1-6,11H2

InChIKey

GNHDMWBANSWSNL-UHFFFAOYSA-N

Compound name

2-(4,4-difluorocyclohexyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 163.11725 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]+	164.12453	134.1
[M+Na]+	186.10647	139.9
[M-H]-	162.10997	134.0
[M+NH4]+	181.15107	156.1
[M+K]+	202.08041	137.9
[M+H-H2O]+	146.11451	127.5
[M+HCOO]-	208.11545	152.8
[M+CH3COO]-	222.13110	179.7
[M+Na-2H]-	184.09192	138.2
[M]+	163.11670	125.8
[M]-	163.11780	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe