CID 165914396

Ethyl 2-oxo-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate

Structural Information

Molecular Formula
C8H6F3NO3S
SMILES
CCOC(=O)C(=O)C1=NC(=CS1)C(F)(F)F
InChI
InChI=1S/C8H6F3NO3S/c1-2-15-7(14)5(13)6-12-4(3-16-6)8(9,10)11/h3H,2H2,1H3
InChIKey
APLOXJWLNKZKNR-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.00204 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.00932 147.8
[M+Na]+ 275.99126 157.0
[M-H]- 251.99476 146.8
[M+NH4]+ 271.03586 165.8
[M+K]+ 291.96520 155.1
[M+H-H2O]+ 235.99930 139.6
[M+HCOO]- 298.00024 161.2
[M+CH3COO]- 312.01589 189.1
[M+Na-2H]- 273.97671 147.3
[M]+ 253.00149 148.8
[M]- 253.00259 148.8
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.