CID 53338767

785712-17-6

Structural Information

Molecular Formula

C₄H₆F₂O₃

SMILES

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

InChI

InChI=1S/C4H6F2O3/c1-9-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)

InChIKey

WFSAUHIICKJXSV-UHFFFAOYSA-N

Compound name

2,2-difluoro-3-methoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 140.0285 Da
Monoisotopic Mass: 0.3
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]+	141.03578	122.2
[M+Na]+	163.01772	130.4
[M-H]-	139.02122	118.9
[M+NH4]+	158.06232	143.1
[M+K]+	178.99166	130.5
[M+H-H2O]+	123.02576	116.9
[M+HCOO]-	185.02670	141.4
[M+CH3COO]-	199.04235	170.1
[M+Na-2H]-	161.00317	128.2
[M]+	140.02795	120.9
[M]-	140.02905	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe