CID 119056833

Ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H7F3N2O2S
SMILES
CCOC(=O)C1=C(SC(=N1)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)15-6(11)12-3/h2H2,1H3,(H2,11,12)
InChIKey
QHEFEANTTIMHSI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01804 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02532 144.7
[M+Na]+ 263.00726 154.4
[M-H]- 239.01076 143.5
[M+NH4]+ 258.05186 163.1
[M+K]+ 278.98120 151.7
[M+H-H2O]+ 223.01530 136.4
[M+HCOO]- 285.01624 159.3
[M+CH3COO]- 299.03189 189.5
[M+Na-2H]- 260.99271 144.5
[M]+ 240.01749 143.7
[M]- 240.01859 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.