CID 138008209

2243513-45-1

Structural Information

Molecular Formula
C7H6F3NO4
SMILES
C1=COC(=N1)C(CC(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C7H6F3NO4/c8-7(9,10)6(14,3-4(12)13)5-11-1-2-15-5/h1-2,14H,3H2,(H,12,13)
InChIKey
SWPGOIWAUZIUOZ-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03217 139.7
[M+Na]+ 248.01411 147.7
[M-H]- 224.01761 136.4
[M+NH4]+ 243.05871 155.3
[M+K]+ 263.98805 147.2
[M+H-H2O]+ 208.02215 132.4
[M+HCOO]- 270.02309 154.2
[M+CH3COO]- 284.03874 179.3
[M+Na-2H]- 245.99956 145.8
[M]+ 225.02434 136.6
[M]- 225.02544 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.