CID 50988003

1780567-10-3

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

CCOC(=O)C1CNCC1(F)F

InChI

InChI=1S/C7H11F2NO2/c1-2-12-6(11)5-3-10-4-7(5,8)9/h5,10H,2-4H2,1H3

InChIKey

HHLNOTLVLWIQHE-UHFFFAOYSA-N

Compound name

ethyl 4,4-difluoropyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.07579 Da
Monoisotopic Mass: 0.5
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]+	180.08307	134.7
[M+Na]+	202.06501	142.3
[M-H]-	178.06851	132.9
[M+NH4]+	197.10961	156.4
[M+K]+	218.03895	140.8
[M+H-H2O]+	162.07305	128.2
[M+HCOO]-	224.07399	152.5
[M+CH3COO]-	238.08964	175.6
[M+Na-2H]-	200.05046	137.4
[M]+	179.07524	130.1
[M]-	179.07634	130.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.