CID 67656

344-72-9

Structural Information

Molecular Formula
C7H7F3N2O2S
SMILES
CCOC(=O)C1=C(N=C(S1)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)
InChIKey
XJRPTMORGOIMMI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

9047
Patents

240.01804 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.025316 144.7
[M+Na]+ 263.007258 154.4
[M-H]- 239.010764 143.5
[M+NH4]+ 258.051863 163.1
[M+K]+ 278.981198 151.7
[M+H-H2O]+ 223.015300 136.4
[M+HCOO]- 285.016241 159.3
[M+CH3COO]- 299.031891 189.5
[M+Na-2H]- 260.992706 144.5
[M]+ 240.01749142 143.7
[M]- 240.01858858 143.7
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

patents stripe