CID 2758828

Ethyl 2,2-difluoro-3-hydroxypropanoate

Structural Information

Molecular Formula

C₅H₈F₂O₃

SMILES

CCOC(=O)C(CO)(F)F

InChI

InChI=1S/C5H8F2O3/c1-2-10-4(9)5(6,7)3-8/h8H,2-3H2,1H3

InChIKey

HHDADYBESRVMSN-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoro-3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 154.04414 Da
Monoisotopic Mass: 0.1
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]+	155.05142	132.0
[M+Na]+	177.03336	139.2
[M+NH4]+	172.07796	137.1
[M+K]+	193.00730	136.3
[M-H]-	153.03686	126.5
[M+Na-2H]-	175.01881	133.1
[M]+	154.04359	131.0
[M]-	154.04469	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe