CID 86775160

2247106-56-3

Structural Information

Molecular Formula

C₈H₁₅F₂N

SMILES

C1CC(CCC(C1)N)C(F)F

InChI

InChI=1S/C8H15F2N/c9-8(10)6-2-1-3-7(11)5-4-6/h6-8H,1-5,11H2

InChIKey

RJACPYJEYMIIAL-UHFFFAOYSA-N

Compound name

4-(difluoromethyl)cycloheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.11725 Da
Monoisotopic Mass: 2.0
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	128.8
[M+Na]+	186.10647	134.9
[M+NH4]+	181.15107	135.6
[M+K]+	202.08041	131.7
[M-H]-	162.10997	128.2
[M+Na-2H]-	184.09192	132.6
[M]+	163.11670	129.1
[M]-	163.11780	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.