CID 2737210

175277-03-9

Structural Information

Molecular Formula
C14H12F3NO2S
SMILES
CCOC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)C(F)(F)F)C
InChI
InChI=1S/C14H12F3NO2S/c1-3-20-13(19)11-8(2)18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-7H,3H2,1-2H3
InChIKey
LPIXRQSYBTUXOQ-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

315.05408 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06136 174.3
[M+Na]+ 338.04330 183.0
[M+NH4]+ 333.08790 179.2
[M+K]+ 354.01724 177.5
[M-H]- 314.04680 171.9
[M+Na-2H]- 336.02875 177.4
[M]+ 315.05353 175.0
[M]- 315.05463 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe