CID 511584

1-[2-(4-chlorophenyl)-1-(5-chloro-2-thienyl)ethyl]imidazole

Structural Information

Molecular Formula
C15H12Cl2N2S
SMILES
C1=CC(=CC=C1CC(C2=CC=C(S2)Cl)N3C=CN=C3)Cl
InChI
InChI=1S/C15H12Cl2N2S/c16-12-3-1-11(2-4-12)9-13(19-8-7-18-10-19)14-5-6-15(17)20-14/h1-8,10,13H,9H2
InChIKey
GCBNOFHUDKKBFT-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.00983 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01711 171.5
[M+Na]+ 344.99905 183.4
[M-H]- 321.00255 179.5
[M+NH4]+ 340.04365 188.8
[M+K]+ 360.97299 176.2
[M+H-H2O]+ 305.00709 164.1
[M+HCOO]- 367.00803 181.6
[M+CH3COO]- 381.02368 183.7
[M+Na-2H]- 342.98450 169.5
[M]+ 322.00928 178.2
[M]- 322.01038 178.2
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.