CID 57638581

2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid

Structural Information

Molecular Formula
C10H9F3O3
SMILES
C1=CC(=CC=C1CC(C(=O)O)O)C(F)(F)F
InChI
InChI=1S/C10H9F3O3/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8,14H,5H2,(H,15,16)
InChIKey
FPBLAVBKUSKNJY-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

234.05038 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 145.3
[M+Na]+ 257.03960 152.6
[M-H]- 233.04310 142.5
[M+NH4]+ 252.08420 161.6
[M+K]+ 273.01354 149.8
[M+H-H2O]+ 217.04764 137.7
[M+HCOO]- 279.04858 160.6
[M+CH3COO]- 293.06423 185.2
[M+Na-2H]- 255.02505 147.8
[M]+ 234.04983 140.4
[M]- 234.05093 140.4
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

patents stripe