CID 55283859

2098033-30-6

Structural Information

Molecular Formula

C₇H₁₃F₂N

SMILES

C1CC(CCC1C(F)F)N

InChI

InChI=1S/C7H13F2N/c8-7(9)5-1-3-6(10)4-2-5/h5-7H,1-4,10H2

InChIKey

FHINUUZVNPBBSO-UHFFFAOYSA-N

Compound name

4-(difluoromethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 149.10161 Da
Monoisotopic Mass: 1.7
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]+	150.10889	130.6
[M+Na]+	172.09083	135.6
[M-H]-	148.09433	130.4
[M+NH4]+	167.13543	151.1
[M+K]+	188.06477	134.1
[M+H-H2O]+	132.09887	123.4
[M+HCOO]-	194.09981	148.6
[M+CH3COO]-	208.11546	177.9
[M+Na-2H]-	170.07628	132.8
[M]+	149.10106	121.0
[M]-	149.10216	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe