CID 136576040

5,5-difluorooxepan-4-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1COCCC(C1N)(F)F

InChI

InChI=1S/C6H11F2NO/c7-6(8)2-4-10-3-1-5(6)9/h5H,1-4,9H2

InChIKey

HDVREABSYYGAIT-UHFFFAOYSA-N

Compound name

5,5-difluorooxepan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.08087 Da
Monoisotopic Mass: 0.4
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]+	152.08815	120.3
[M+Na]+	174.07009	124.8
[M-H]-	150.07359	122.3
[M+NH4]+	169.11469	139.9
[M+K]+	190.04403	128.8
[M+H-H2O]+	134.07813	114.1
[M+HCOO]-	196.07907	138.3
[M+CH3COO]-	210.09472	177.7
[M+Na-2H]-	172.05554	126.5
[M]+	151.08032	110.5
[M]-	151.08142	110.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.