CID 86635123

942215-79-4

Structural Information

Molecular Formula

C₆H₉F₃O₃

SMILES

CC(C)(C(F)(F)F)OCC(=O)O

InChI

InChI=1S/C6H9F3O3/c1-5(2,6(7,8)9)12-3-4(10)11/h3H2,1-2H3,(H,10,11)

InChIKey

NZQXODKCWOJANP-UHFFFAOYSA-N

Compound name

2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 186.05038 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]+	187.05766	143.3
[M+Na]+	209.03960	148.8
[M+NH4]+	204.08420	146.9
[M+K]+	225.01354	146.7
[M-H]-	185.04310	135.7
[M+Na-2H]-	207.02505	143.1
[M]+	186.04983	141.4
[M]-	186.05093	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe