CID 53404550

Ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C7H6F3NO3
SMILES
CCOC(=O)C1=COC(=N1)C(F)(F)F
InChI
InChI=1S/C7H6F3NO3/c1-2-13-5(12)4-3-14-6(11-4)7(8,9)10/h3H,2H2,1H3
InChIKey
WLTXOCFHAKNLBB-UHFFFAOYSA-N
Compound name
ethyl 2-(trifluoromethyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

209.02998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.037256 136.4
[M+Na]+ 232.019198 146.1
[M-H]- 208.022704 136.0
[M+NH4]+ 227.063803 154.5
[M+K]+ 247.993138 146.3
[M+H-H2O]+ 192.027240 128.4
[M+HCOO]- 254.028181 155.3
[M+CH3COO]- 268.043831 182.4
[M+Na-2H]- 230.004646 141.5
[M]+ 209.02943142 136.5
[M]- 209.03052858 136.5
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

patents stripe