CID 165661503

2228455-15-8

Structural Information

Molecular Formula
C7H11F3O3
SMILES
CC(C)(C(C(=O)OC)O)C(F)(F)F
InChI
InChI=1S/C7H11F3O3/c1-6(2,7(8,9)10)4(11)5(12)13-3/h4,11H,1-3H3
InChIKey
DRYJCHBKGVJWNT-UHFFFAOYSA-N
Compound name
methyl 4,4,4-trifluoro-2-hydroxy-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06602 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07330 137.6
[M+Na]+ 223.05524 145.0
[M-H]- 199.05874 133.0
[M+NH4]+ 218.09984 156.2
[M+K]+ 239.02918 145.0
[M+H-H2O]+ 183.06328 131.6
[M+HCOO]- 245.06422 152.4
[M+CH3COO]- 259.07987 182.0
[M+Na-2H]- 221.04069 141.3
[M]+ 200.06547 134.8
[M]- 200.06657 134.8
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.