CID 23184131

Ethyl 3,3-difluoropropanoate

Structural Information

Molecular Formula

C₅H₈F₂O₂

SMILES

CCOC(=O)CC(F)F

InChI

InChI=1S/C5H8F2O2/c1-2-9-5(8)3-4(6)7/h4H,2-3H2,1H3

InChIKey

RUXHZGKZALQIBK-UHFFFAOYSA-N

Compound name

ethyl 3,3-difluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 213
Patents: 138.04924 Da
Monoisotopic Mass: 1.3
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]+	139.056516	124.1
[M+Na]+	161.038458	131.7
[M-H]-	137.041964	122.0
[M+NH4]+	156.083063	145.8
[M+K]+	177.012398	132.3
[M+H-H2O]+	121.046500	118.0
[M+HCOO]-	183.047441	144.9
[M+CH3COO]-	197.063091	173.7
[M+Na-2H]-	159.023906	128.2
[M]+	138.04869142	123.5
[M]-	138.04978858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe