CID 132354082

2138051-85-9

Structural Information

Molecular Formula
C8H8F3NO4
SMILES
COC(=O)N1CCOC(=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C8H8F3NO4/c1-15-7(14)12-2-3-16-5(4-12)6(13)8(9,10)11/h4H,2-3H2,1H3
InChIKey
YBJIJMFHYPWKCQ-UHFFFAOYSA-N
Compound name
methyl 6-(2,2,2-trifluoroacetyl)-2,3-dihydro-1,4-oxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04054 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04782 144.7
[M+Na]+ 262.02976 152.2
[M-H]- 238.03326 143.6
[M+NH4]+ 257.07436 159.5
[M+K]+ 278.00370 152.8
[M+H-H2O]+ 222.03780 136.0
[M+HCOO]- 284.03874 159.1
[M+CH3COO]- 298.05439 187.6
[M+Na-2H]- 260.01521 148.6
[M]+ 239.03999 141.7
[M]- 239.04109 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.