CID 155978068

Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate

Structural Information

Molecular Formula
C8H6F3NO3S
SMILES
CCOC(=O)C(=O)C1=CN=C(S1)C(F)(F)F
InChI
InChI=1S/C8H6F3NO3S/c1-2-15-6(14)5(13)4-3-12-7(16-4)8(9,10)11/h3H,2H2,1H3
InChIKey
DHQKPWPKTBYHFF-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-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 157.5
[M+Na]+ 275.99126 163.2
[M+NH4]+ 271.03586 161.2
[M+K]+ 291.96520 160.2
[M-H]- 251.99476 151.6
[M+Na-2H]- 273.97671 157.7
[M]+ 253.00149 156.5
[M]- 253.00259 156.5
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.