CID 54594235

2-hydroxy-2-[2-(trifluoromethyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C10H9F3O3
SMILES
CC(C1=CC=CC=C1C(F)(F)F)(C(=O)O)O
InChI
InChI=1S/C10H9F3O3/c1-9(16,8(14)15)6-4-2-3-5-7(6)10(11,12)13/h2-5,16H,1H3,(H,14,15)
InChIKey
ALXYARRENNXGBT-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[2-(trifluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05038 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 144.8
[M+Na]+ 257.03960 152.8
[M-H]- 233.04310 142.3
[M+NH4]+ 252.08420 161.3
[M+K]+ 273.01354 150.0
[M+H-H2O]+ 217.04764 137.8
[M+HCOO]- 279.04858 159.6
[M+CH3COO]- 293.06423 184.8
[M+Na-2H]- 255.02505 149.6
[M]+ 234.04983 140.0
[M]- 234.05093 140.0
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.