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]+ 241.05385 148.4
[M+Na]+ 263.03579 159.3
[M-H]- 239.03929 150.3
[M+NH4]+ 258.08039 165.6
[M+K]+ 279.00973 153.4
[M+H-H2O]+ 223.04383 140.2
[M+HCOO]- 285.04477 164.8
[M+CH3COO]- 299.06042 187.6
[M+Na-2H]- 261.02124 151.7
[M]+ 240.04602 149.8
[M]- 240.04712 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.