CID 511580

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

Structural Information

Molecular Formula
C15H13ClN2S
SMILES
C1=CSC(=C1)C(CC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C15H13ClN2S/c16-13-5-3-12(4-6-13)10-14(15-2-1-9-19-15)18-8-7-17-11-18/h1-9,11,14H,10H2
InChIKey
QETHTEZRHVMQNU-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1-thiophen-2-ylethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0488 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05608 164.4
[M+Na]+ 311.03802 175.3
[M-H]- 287.04152 172.9
[M+NH4]+ 306.08262 182.5
[M+K]+ 327.01196 169.2
[M+H-H2O]+ 271.04606 156.7
[M+HCOO]- 333.04700 179.8
[M+CH3COO]- 347.06265 177.2
[M+Na-2H]- 309.02347 164.0
[M]+ 288.04825 169.8
[M]- 288.04935 169.8
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.