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]+ 208.05800 137.5
[M+Na]+ 230.03994 147.8
[M-H]- 206.04344 137.3
[M+NH4]+ 225.08454 156.1
[M+K]+ 246.01388 147.2
[M+H-H2O]+ 190.04798 129.9
[M+HCOO]- 252.04892 155.8
[M+CH3COO]- 266.06457 185.2
[M+Na-2H]- 228.02539 141.4
[M]+ 207.05017 137.0
[M]- 207.05127 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.