CID 138039699

2241142-55-0

Structural Information

Molecular Formula
C5H4F3NO2
SMILES
C1=COC(=N1)C(C(F)(F)F)O
InChI
InChI=1S/C5H4F3NO2/c6-5(7,8)3(10)4-9-1-2-11-4/h1-3,10H
InChIKey
MCCXFTLSMFSPMP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1,3-oxazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.01941 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02669 126.0
[M+Na]+ 190.00863 134.9
[M-H]- 166.01213 124.0
[M+NH4]+ 185.05323 144.8
[M+K]+ 205.98257 134.8
[M+H-H2O]+ 150.01667 118.3
[M+HCOO]- 212.01761 143.6
[M+CH3COO]- 226.03326 172.1
[M+Na-2H]- 187.99408 132.2
[M]+ 167.01886 122.4
[M]- 167.01996 122.4
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.