CID 116884399

2-chloro-5-(4-ethoxy-3-fluorophenyl)-1h-imidazole

Structural Information

Molecular Formula
C11H10ClFN2O
SMILES
CCOC1=C(C=C(C=C1)C2=CN=C(N2)Cl)F
InChI
InChI=1S/C11H10ClFN2O/c1-2-16-10-4-3-7(5-8(10)13)9-6-14-11(12)15-9/h3-6H,2H2,1H3,(H,14,15)
InChIKey
VOWVIOCLBHDUCN-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-ethoxy-3-fluorophenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.04657 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.053846 148.4
[M+Na]+ 263.035788 159.3
[M-H]- 239.039294 150.3
[M+NH4]+ 258.080393 165.6
[M+K]+ 279.009728 153.4
[M+H-H2O]+ 223.043830 140.2
[M+HCOO]- 285.044771 164.8
[M+CH3COO]- 299.060421 187.6
[M+Na-2H]- 261.021236 151.7
[M]+ 240.04602142 149.8
[M]- 240.04711858 149.8
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.