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]+ 168.026686 126.0
[M+Na]+ 190.008628 134.9
[M-H]- 166.012134 124.0
[M+NH4]+ 185.053233 144.8
[M+K]+ 205.982568 134.8
[M+H-H2O]+ 150.016670 118.3
[M+HCOO]- 212.017611 143.6
[M+CH3COO]- 226.033261 172.1
[M+Na-2H]- 187.994076 132.2
[M]+ 167.01886142 122.4
[M]- 167.01995858 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.