CID 168168802

3-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H4F3NO4
SMILES
C1=C(ON=C1OCC(F)(F)F)C(=O)O
InChI
InChI=1S/C6H4F3NO4/c7-6(8,9)2-13-4-1-3(5(11)12)14-10-4/h1H,2H2,(H,11,12)
InChIKey
ATSVLEPIYMFIRZ-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.00925 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.016526 134.6
[M+Na]+ 233.998468 144.0
[M-H]- 210.001974 132.9
[M+NH4]+ 229.043073 151.7
[M+K]+ 249.972408 144.0
[M+H-H2O]+ 194.006510 126.7
[M+HCOO]- 256.007451 152.5
[M+CH3COO]- 270.023101 179.5
[M+Na-2H]- 231.983916 139.9
[M]+ 211.00870142 134.0
[M]- 211.00979858 134.0
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

patents stripe