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]+ 180.026686 128.4
[M+Na]+ 202.008628 138.6
[M-H]- 178.012134 128.2
[M+NH4]+ 197.053233 147.8
[M+K]+ 217.982568 138.5
[M+H-H2O]+ 162.016670 120.8
[M+HCOO]- 224.017611 147.4
[M+CH3COO]- 238.033261 178.0
[M+Na-2H]- 199.994076 134.0
[M]+ 179.01886142 126.8
[M]- 179.01995858 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.