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 163.2
[M+Na]+ 305.01782 167.9
[M+NH4]+ 300.06242 166.3
[M+K]+ 320.99176 165.4
[M-H]- 281.02132 157.5
[M+Na-2H]- 303.00327 162.9
[M]+ 282.02805 162.0
[M]- 282.02915 162.0
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

No patent data available for this compound.