CID 3753656

69484-34-0

Structural Information

Molecular Formula

C₁₀H₉F₃O₃

SMILES

CC(C(=O)O)OC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C10H9F3O3/c1-6(9(14)15)16-8-4-2-7(3-5-8)10(11,12)13/h2-6H,1H3,(H,14,15)

InChIKey

ZZCGVEYHZSLNKD-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethyl)phenoxy]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 234.05038 Da
Monoisotopic Mass: 2.6
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]+	235.05766	152.7
[M+Na]+	257.03960	160.3
[M+NH4]+	252.08420	156.9
[M+K]+	273.01354	156.9
[M-H]-	233.04310	148.0
[M+Na-2H]-	255.02505	155.1
[M]+	234.04983	152.0
[M]-	234.05093	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe