CID 697705

72220-50-9

Structural Information

Molecular Formula

C₉H₇F₃O₄

SMILES

C1=CC(=CC=C1OCC(=O)O)OC(F)(F)F

InChI

InChI=1S/C9H7F3O4/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H,13,14)

InChIKey

QHSBEEUEIRDHCD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 246
Patents: 236.02965 Da
Monoisotopic Mass: 2.4
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]+	237.03693	151.2
[M+Na]+	259.01887	158.9
[M+NH4]+	254.06347	155.2
[M+K]+	274.99281	155.5
[M-H]-	235.02237	146.3
[M+Na-2H]-	257.00432	153.8
[M]+	236.02910	150.5
[M]-	236.03020	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe