CID 22749276

Ethyl 2,2-difluorobutanoate

Structural Information

Molecular Formula

C₆H₁₀F₂O₂

SMILES

CCC(C(=O)OCC)(F)F

InChI

InChI=1S/C6H10F2O2/c1-3-6(7,8)5(9)10-4-2/h3-4H2,1-2H3

InChIKey

XXHJMUMSGJEBTL-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 152.06488 Da
Monoisotopic Mass: 1.6
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]+	153.072156	128.2
[M+Na]+	175.054098	136.1
[M-H]-	151.057604	126.1
[M+NH4]+	170.098703	149.5
[M+K]+	191.028038	136.3
[M+H-H2O]+	135.062140	122.5
[M+HCOO]-	197.063081	148.1
[M+CH3COO]-	211.078731	176.2
[M+Na-2H]-	173.039546	133.6
[M]+	152.06433142	128.0
[M]-	152.06542858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe