CID 46737581

916421-04-0

Structural Information

Molecular Formula

C₁₀H₉F₃O₃

SMILES

COC1=CC(=CC(=C1)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C10H9F3O3/c1-16-8-3-6(4-9(14)15)2-7(5-8)10(11,12)13/h2-3,5H,4H2,1H3,(H,14,15)

InChIKey

QROADCOZBAMFID-UHFFFAOYSA-N

Compound name

2-[3-methoxy-5-(trifluoromethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 234.05038 Da
Monoisotopic Mass: 2.2
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	153.2
[M+Na]+	257.03960	161.5
[M+NH4]+	252.08420	157.6
[M+K]+	273.01354	157.5
[M-H]-	233.04310	148.8
[M+Na-2H]-	255.02505	155.7
[M]+	234.04983	152.7
[M]-	234.05093	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe