CID 486289

219726-59-7

Structural Information

Molecular Formula
C8H8F3NO2
SMILES
CC1=C(OC(=N1)CC(=O)C(F)(F)F)C
InChI
InChI=1S/C8H8F3NO2/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h3H2,1-2H3
InChIKey
PFRDWYMBQDPMLD-UHFFFAOYSA-N
Compound name
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1,1,1-trifluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

207.05072 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.057996 137.5
[M+Na]+ 230.039938 147.8
[M-H]- 206.043444 137.3
[M+NH4]+ 225.084543 156.1
[M+K]+ 246.013878 147.2
[M+H-H2O]+ 190.047980 129.9
[M+HCOO]- 252.048921 155.8
[M+CH3COO]- 266.064571 185.2
[M+Na-2H]- 228.025386 141.4
[M]+ 207.05017142 137.0
[M]- 207.05126858 137.0
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.