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

9
Patents

209.02998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03726 136.4
[M+Na]+ 232.01920 146.1
[M-H]- 208.02270 136.0
[M+NH4]+ 227.06380 154.5
[M+K]+ 247.99314 146.3
[M+H-H2O]+ 192.02724 128.4
[M+HCOO]- 254.02818 155.3
[M+CH3COO]- 268.04383 182.4
[M+Na-2H]- 230.00465 141.5
[M]+ 209.02943 136.5
[M]- 209.03053 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