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 152.1
[M+Na]+ 263.00726 157.8
[M+NH4]+ 258.05186 156.4
[M+K]+ 278.98120 154.8
[M-H]- 239.01076 147.3
[M+Na-2H]- 260.99271 152.7
[M]+ 240.01749 151.4
[M]- 240.01859 151.4
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.