CID 2781473

256471-34-8

Structural Information

Molecular Formula
C8H8F3NO3
SMILES
CCOC(=O)C1=C(ON=C1C)C(F)(F)F
InChI
InChI=1S/C8H8F3NO3/c1-3-14-7(13)5-4(2)12-15-6(5)8(9,10)11/h3H2,1-2H3
InChIKey
NHHFGKAUENFMLX-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05290 140.7
[M+Na]+ 246.03484 150.9
[M-H]- 222.03834 140.5
[M+NH4]+ 241.07944 158.6
[M+K]+ 262.00878 150.8
[M+H-H2O]+ 206.04288 132.8
[M+HCOO]- 268.04382 159.2
[M+CH3COO]- 282.05947 186.6
[M+Na-2H]- 244.02029 144.6
[M]+ 223.04507 141.5
[M]- 223.04617 141.5
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.