CID 60006963

848414-03-9

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1CNCC1C(CO)(F)F

InChI

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

InChIKey

WPUZOENUSBZVKC-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-pyrrolidin-3-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 151.08087 Da
Monoisotopic Mass: 0.2
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]+	152.088146	130.3
[M+Na]+	174.070088	136.4
[M-H]-	150.073594	126.6
[M+NH4]+	169.114693	150.2
[M+K]+	190.044028	134.1
[M+H-H2O]+	134.078130	123.5
[M+HCOO]-	196.079071	145.8
[M+CH3COO]-	210.094721	168.3
[M+Na-2H]-	172.055536	134.3
[M]+	151.08032142	122.2
[M]-	151.08141858	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe