CID 533787

91600-33-8

Structural Information

Molecular Formula

C₇H₁₁F₃O₃

SMILES

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

InChI

InChI=1S/C7H11F3O3/c1-3-13-6(12)4(2)5(11)7(8,9)10/h4-5,11H,3H2,1-2H3

InChIKey

MFRIOKNLYRUYHP-UHFFFAOYSA-N

Compound name

ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 200.06602 Da
Monoisotopic Mass: 1.5
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]+	201.07330	138.7
[M+Na]+	223.05524	145.4
[M-H]-	199.05874	133.8
[M+NH4]+	218.09984	157.2
[M+K]+	239.02918	145.4
[M+H-H2O]+	183.06328	132.1
[M+HCOO]-	245.06422	154.0
[M+CH3COO]-	259.07987	182.4
[M+Na-2H]-	221.04069	140.1
[M]+	200.06547	135.8
[M]-	200.06657	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe