CID 2777311

175204-35-0

Structural Information

Molecular Formula

C₁₀H₉F₃O₄

SMILES

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

InChI

InChI=1S/C10H9F3O4/c1-6(9(14)15)16-7-2-4-8(5-3-7)17-10(11,12)13/h2-6H,1H3,(H,14,15)

InChIKey

NVWNMNYBXVGBEN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 250.04529 Da
Monoisotopic Mass: 2.9
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]+	251.05257	155.2
[M+Na]+	273.03451	162.4
[M+NH4]+	268.07911	158.9
[M+K]+	289.00845	159.5
[M-H]-	249.03801	150.1
[M+Na-2H]-	271.01996	157.2
[M]+	250.04474	154.3
[M]-	250.04584	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe