CID 50896649

1668572-39-1

Structural Information

Molecular Formula

C₈H₁₅F₂N

SMILES

C1CCC(CC1)NCC(F)F

InChI

InChI=1S/C8H15F2N/c9-8(10)6-11-7-4-2-1-3-5-7/h7-8,11H,1-6H2

InChIKey

RKKZZZYPHIPSTM-UHFFFAOYSA-N

Compound name

N-(2,2-difluoroethyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 163.11725 Da
Monoisotopic Mass: 2.5
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]+	164.124526	135.0
[M+Na]+	186.106468	138.5
[M-H]-	162.109974	134.6
[M+NH4]+	181.151073	154.8
[M+K]+	202.080408	137.1
[M+H-H2O]+	146.114510	127.2
[M+HCOO]-	208.115451	153.3
[M+CH3COO]-	222.131101	180.6
[M+Na-2H]-	184.091916	138.4
[M]+	163.11670142	126.3
[M]-	163.11779858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe