CID 136210

372-30-5

Structural Information

Molecular Formula

C₆H₉F₃O₃

SMILES

CCOC(=O)CC(C(F)(F)F)O

InChI

InChI=1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3

InChIKey

ZWEDFBKLJILTMC-UHFFFAOYSA-N

Compound name

ethyl 4,4,4-trifluoro-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3807
Patents: 186.05038 Da
Monoisotopic Mass: 0.9
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]+	187.05766	142.7
[M+Na]+	209.03960	148.2
[M+NH4]+	204.08420	146.4
[M+K]+	225.01354	145.8
[M-H]-	185.04310	135.6
[M+Na-2H]-	207.02505	142.3
[M]+	186.04983	140.9
[M]-	186.05093	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe