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

2
Patents

222.06161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06889 143.0
[M+Na]+ 245.05083 152.7
[M-H]- 221.05433 139.4
[M+NH4]+ 240.09543 160.1
[M+K]+ 261.02477 150.2
[M+H-H2O]+ 205.05887 134.4
[M+HCOO]- 267.05981 159.4
[M+CH3COO]- 281.07546 184.7
[M+Na-2H]- 243.03628 145.3
[M]+ 222.06106 140.4
[M]- 222.06216 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