CID 131869138

2-(5-methoxy-2-(trifluoromethyl)phenyl)acetic acid

Structural Information

Molecular Formula
C10H9F3O3
SMILES
COC1=CC(=C(C=C1)C(F)(F)F)CC(=O)O
InChI
InChI=1S/C10H9F3O3/c1-16-7-2-3-8(10(11,12)13)6(4-7)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKey
PWJMIBAMJFDDMY-UHFFFAOYSA-N
Compound name
2-[5-methoxy-2-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05038 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 144.5
[M+Na]+ 257.03960 153.5
[M-H]- 233.04310 143.4
[M+NH4]+ 252.08420 161.9
[M+K]+ 273.01354 151.1
[M+H-H2O]+ 217.04764 136.8
[M+HCOO]- 279.04858 162.3
[M+CH3COO]- 293.06423 188.0
[M+Na-2H]- 255.02505 148.1
[M]+ 234.04983 142.5
[M]- 234.05093 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.