CID 19800617

4,4,4-trifluoro-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H5F3O3
SMILES
C(C(C(=O)O)O)C(F)(F)F
InChI
InChI=1S/C4H5F3O3/c5-4(6,7)1-2(8)3(9)10/h2,8H,1H2,(H,9,10)
InChIKey
FGKVOERQNLHPOO-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

158.01907 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.026346 125.4
[M+Na]+ 181.008288 132.9
[M-H]- 157.011794 119.4
[M+NH4]+ 176.052893 144.7
[M+K]+ 196.982228 132.3
[M+H-H2O]+ 141.016330 119.3
[M+HCOO]- 203.017271 141.0
[M+CH3COO]- 217.032921 170.5
[M+Na-2H]- 178.993736 129.0
[M]+ 158.01852142 120.0
[M]- 158.01961858 120.0
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

patents stripe