CID 112712291

Lithium(1+) 1-(trifluoromethyl)-1h-imidazole-2-carboxylate

Structural Information

Molecular Formula
C5H3F3N2O2
SMILES
C1=CN(C(=N1)C(=O)O)C(F)(F)F
InChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)10-2-1-9-3(10)4(11)12/h1-2H,(H,11,12)
InChIKey
IAEJKWGNADOVJE-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)imidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.01466 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02194 137.5
[M+Na]+ 203.00388 144.4
[M+NH4]+ 198.04848 141.2
[M+K]+ 218.97782 143.5
[M-H]- 179.00738 131.2
[M+Na-2H]- 200.98933 139.3
[M]+ 180.01411 136.1
[M]- 180.01521 136.1
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.