CID 511585

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

Structural Information

Molecular Formula
C15H11Cl3N2S
SMILES
C1=CC(=C(C=C1Cl)Cl)CC(C2=CC=C(S2)Cl)N3C=CN=C3
InChI
InChI=1S/C15H11Cl3N2S/c16-11-2-1-10(12(17)8-11)7-13(20-6-5-19-9-20)14-3-4-15(18)21-14/h1-6,8-9,13H,7H2
InChIKey
LKGFWBTVYPLWOH-UHFFFAOYSA-N
Compound name
1-[1-(5-chlorothiophen-2-yl)-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.97086 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97814 178.4
[M+Na]+ 378.96008 190.6
[M-H]- 354.96358 185.3
[M+NH4]+ 374.00468 194.4
[M+K]+ 394.93402 183.1
[M+H-H2O]+ 338.96812 171.2
[M+HCOO]- 400.96906 182.8
[M+CH3COO]- 414.98471 189.4
[M+Na-2H]- 376.94553 174.6
[M]+ 355.97031 185.2
[M]- 355.97141 185.2
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.