CID 137965662

2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C6H4F3NO2
SMILES
CC1=CN=C(O1)C(=O)C(F)(F)F
InChI
InChI=1S/C6H4F3NO2/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2H,1H3
InChIKey
CBJVNUIBVQXUHT-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.01941 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02669 128.4
[M+Na]+ 202.00863 138.6
[M-H]- 178.01213 128.2
[M+NH4]+ 197.05323 147.8
[M+K]+ 217.98257 138.5
[M+H-H2O]+ 162.01667 120.8
[M+HCOO]- 224.01761 147.4
[M+CH3COO]- 238.03326 178.0
[M+Na-2H]- 199.99408 134.0
[M]+ 179.01886 126.8
[M]- 179.01996 126.8
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.