CID 719081

302804-92-8

Structural Information

Molecular Formula
C9H9F3N2O3S
SMILES
CCOC(=O)C1=C(N=C(S1)NC(=O)C(F)(F)F)C
InChI
InChI=1S/C9H9F3N2O3S/c1-3-17-6(15)5-4(2)13-8(18-5)14-7(16)9(10,11)12/h3H2,1-2H3,(H,13,14,16)
InChIKey
PWGRJBWAENVFEG-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03588 155.9
[M+Na]+ 305.01782 164.5
[M-H]- 281.02132 154.9
[M+NH4]+ 300.06242 172.6
[M+K]+ 320.99176 162.2
[M+H-H2O]+ 265.02586 147.3
[M+HCOO]- 327.02680 169.8
[M+CH3COO]- 341.04245 197.5
[M+Na-2H]- 303.00327 154.9
[M]+ 282.02805 156.7
[M]- 282.02915 156.7
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

No patent data available for this compound.