CID 155858346

2580092-71-1

Structural Information

Molecular Formula

C₇H₁₁F₂NO₂

SMILES

COC(=O)C[C@@H]1CC(CN1)(F)F

InChI

InChI=1S/C7H11F2NO2/c1-12-6(11)2-5-3-7(8,9)4-10-5/h5,10H,2-4H2,1H3/t5-/m1/s1

InChIKey

IQILIDOBXWXRLN-RXMQYKEDSA-N

Compound name

methyl 2-[(2R)-4,4-difluoropyrrolidin-2-yl]acetate

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]+	180.083066	134.7
[M+Na]+	202.065008	142.3
[M-H]-	178.068514	132.9
[M+NH4]+	197.109613	156.4
[M+K]+	218.038948	140.8
[M+H-H2O]+	162.073050	128.2
[M+HCOO]-	224.073991	152.5
[M+CH3COO]-	238.089641	175.6
[M+Na-2H]-	200.050456	137.4
[M]+	179.07524142	130.1
[M]-	179.07633858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.