CID 53441748

33250-33-8

Structural Information

Molecular Formula

C₁₀H₉F₃O₃

SMILES

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

InChI

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

InChIKey

NBLXKJUOYXMNRC-UHFFFAOYSA-N

Compound name

2-methoxy-2-[3-(trifluoromethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.05038 Da
Monoisotopic Mass: 2.3
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]+	235.057656	144.8
[M+Na]+	257.039598	152.6
[M-H]-	233.043104	143.4
[M+NH4]+	252.084203	161.9
[M+K]+	273.013538	150.7
[M+H-H2O]+	217.047640	137.0
[M+HCOO]-	279.048581	161.7
[M+CH3COO]-	293.064231	187.7
[M+Na-2H]-	255.025046	147.9
[M]+	234.04983142	141.8
[M]-	234.05092858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe