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]+ 240.03006 145.7
[M+Na]+ 262.01200 155.1
[M-H]- 238.01550 144.7
[M+NH4]+ 257.05660 164.6
[M+K]+ 277.98594 152.8
[M+H-H2O]+ 222.02004 137.4
[M+HCOO]- 284.02098 159.7
[M+CH3COO]- 298.03663 187.1
[M+Na-2H]- 259.99745 146.0
[M]+ 239.02223 146.6
[M]- 239.02333 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