CID 83401959

Ethyl 2-methyl-4-(trifluoromethyl)-1h-imidazole-5-carboxylate

Structural Information

Molecular Formula
C8H9F3N2O2
SMILES
CCOC(=O)C1=C(NC(=N1)C)C(F)(F)F
InChI
InChI=1S/C8H9F3N2O2/c1-3-15-7(14)5-6(8(9,10)11)13-4(2)12-5/h3H2,1-2H3,(H,12,13)
InChIKey
LUTDMDSAVUHHQB-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-5-(trifluoromethyl)-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.06161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.068886 143.0
[M+Na]+ 245.050828 152.7
[M-H]- 221.054334 139.4
[M+NH4]+ 240.095433 160.1
[M+K]+ 261.024768 150.2
[M+H-H2O]+ 205.058870 134.4
[M+HCOO]- 267.059811 159.4
[M+CH3COO]- 281.075461 184.7
[M+Na-2H]- 243.036276 145.3
[M]+ 222.06106142 140.4
[M]- 222.06215858 140.4
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

patents stripe