CID 43535917

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

Structural Information

Molecular Formula
C8H8F3NO2S
SMILES
CCOC(=O)CC1=NC(=CS1)C(F)(F)F
InChI
InChI=1S/C8H8F3NO2S/c1-2-14-7(13)3-6-12-5(4-15-6)8(9,10)11/h4H,2-3H2,1H3
InChIKey
CURBFAAXYYCLQH-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.02278 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.030056 145.7
[M+Na]+ 262.011998 155.1
[M-H]- 238.015504 144.7
[M+NH4]+ 257.056603 164.6
[M+K]+ 277.985938 152.8
[M+H-H2O]+ 222.020040 137.4
[M+HCOO]- 284.020981 159.7
[M+CH3COO]- 298.036631 187.1
[M+Na-2H]- 259.997446 146.0
[M]+ 239.02223142 146.6
[M]- 239.02332858 146.6
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