CID 58381320

1316831-23-8

Structural Information

Molecular Formula

C₁₀H₉F₃O₃

SMILES

CC1=CC(=CC(=C1C(=O)O)OC)C(F)(F)F

InChI

InChI=1S/C10H9F3O3/c1-5-3-6(10(11,12)13)4-7(16-2)8(5)9(14)15/h3-4H,1-2H3,(H,14,15)

InChIKey

CUVOSVINLTVXGT-UHFFFAOYSA-N

Compound name

2-methoxy-6-methyl-4-(trifluoromethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 234.05038 Da
Monoisotopic Mass: 2.7
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	143.6
[M+Na]+	257.03960	153.5
[M-H]-	233.04310	143.0
[M+NH4]+	252.08420	161.4
[M+K]+	273.01354	151.2
[M+H-H2O]+	217.04764	136.2
[M+HCOO]-	279.04858	161.5
[M+CH3COO]-	293.06423	189.3
[M+Na-2H]-	255.02505	146.6
[M]+	234.04983	142.1
[M]-	234.05093	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe