CID 65635

Flutomidate

Structural Information

Molecular Formula
C14H15FN2O2
SMILES
CCOC(=O)C1=CN=CN1C(C)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H15FN2O2/c1-3-19-14(18)13-8-16-9-17(13)10(2)11-4-6-12(15)7-5-11/h4-10H,3H2,1-2H3
InChIKey
PTPSMJOSZBOCNF-UHFFFAOYSA-N
Compound name
ethyl 3-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

262.11176 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11904 158.2
[M+Na]+ 285.10098 166.3
[M-H]- 261.10448 161.3
[M+NH4]+ 280.14558 174.0
[M+K]+ 301.07492 163.4
[M+H-H2O]+ 245.10902 148.9
[M+HCOO]- 307.10996 178.4
[M+CH3COO]- 321.12561 196.4
[M+Na-2H]- 283.08643 159.4
[M]+ 262.11121 159.7
[M]- 262.11231 159.7
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.