CID 69787

755-73-7

Structural Information

Molecular Formula

C₅H₆F₄O₃

SMILES

COC(=O)C(C(OC)(F)F)(F)F

InChI

InChI=1S/C5H6F4O3/c1-11-3(10)4(6,7)5(8,9)12-2/h1-2H3

InChIKey

NDNOUXQCMAHOSA-UHFFFAOYSA-N

Compound name

methyl 2,2,3,3-tetrafluoro-3-methoxypropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 119
Patents: 190.0253 Da
Monoisotopic Mass: 1.4
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]+	191.03258	130.8
[M+Na]+	213.01452	139.6
[M-H]-	189.01802	126.5
[M+NH4]+	208.05912	150.4
[M+K]+	228.98846	140.0
[M+H-H2O]+	173.02256	123.8
[M+HCOO]-	235.02350	147.6
[M+CH3COO]-	249.03915	181.3
[M+Na-2H]-	210.99997	136.6
[M]+	190.02475	128.5
[M]-	190.02585	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe