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

56
Patents

234.05038 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057656 145.3
[M+Na]+ 257.039598 152.6
[M-H]- 233.043104 142.5
[M+NH4]+ 252.084203 161.6
[M+K]+ 273.013538 149.8
[M+H-H2O]+ 217.047640 137.7
[M+HCOO]- 279.048581 160.6
[M+CH3COO]- 293.064231 185.2
[M+Na-2H]- 255.025046 147.8
[M]+ 234.04983142 140.4
[M]- 234.05092858 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