CID 21016048

1-(4,4-difluorocyclohexyl)ethan-1-amine

Structural Information

Molecular Formula

C₈H₁₅F₂N

SMILES

CC(C1CCC(CC1)(F)F)N

InChI

InChI=1S/C8H15F2N/c1-6(11)7-2-4-8(9,10)5-3-7/h6-7H,2-5,11H2,1H3

InChIKey

PQXBNSCUACNFMG-UHFFFAOYSA-N

Compound name

1-(4,4-difluorocyclohexyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
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	137.0
[M+Na]+	186.10647	144.8
[M+NH4]+	181.15107	145.8
[M+K]+	202.08041	137.8
[M-H]-	162.10997	136.5
[M+Na-2H]-	184.09192	141.7
[M]+	163.11670	137.7
[M]-	163.11780	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe