CID 105530295

5,5-difluoroazepan-4-ol hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1CNCCC(C1O)(F)F

InChI

InChI=1S/C6H11F2NO/c7-6(8)2-4-9-3-1-5(6)10/h5,9-10H,1-4H2

InChIKey

LHAFZUASZMYADX-UHFFFAOYSA-N

Compound name

5,5-difluoroazepan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 151.08087 Da
Monoisotopic Mass: 0.3
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	121.6
[M+Na]+	174.07009	126.2
[M-H]-	150.07359	119.6
[M+NH4]+	169.11469	140.4
[M+K]+	190.04403	128.0
[M+H-H2O]+	134.07813	115.0
[M+HCOO]-	196.07907	136.1
[M+CH3COO]-	210.09472	171.4
[M+Na-2H]-	172.05554	126.7
[M]+	151.08032	109.9
[M]-	151.08142	109.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe