CID 2769543

99497-39-9

Structural Information

Molecular Formula

C₅H₈F₂O₃

SMILES

COCC(C(=O)OC)(F)F

InChI

InChI=1S/C5H8F2O3/c1-9-3-5(6,7)4(8)10-2/h3H2,1-2H3

InChIKey

GKYYMXQCYVIIJJ-UHFFFAOYSA-N

Compound name

methyl 2,2-difluoro-3-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 154.04414 Da
Monoisotopic Mass: 0.6
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]+	155.05142	126.3
[M+Na]+	177.03336	134.6
[M-H]-	153.03686	124.4
[M+NH4]+	172.07796	147.5
[M+K]+	193.00730	135.5
[M+H-H2O]+	137.04140	120.6
[M+HCOO]-	199.04234	146.8
[M+CH3COO]-	213.05799	175.1
[M+Na-2H]-	175.01881	132.4
[M]+	154.04359	127.3
[M]-	154.04469	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe