CID 4962046

1-(3-chlorophenyl)-5-phenyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C15H11ClN2S
SMILES
C1=CC=C(C=C1)C2=CNC(=S)N2C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2S/c16-12-7-4-8-13(9-12)18-14(10-17-15(18)19)11-5-2-1-3-6-11/h1-10H,(H,17,19)
InChIKey
QTRUCDUIWBUCJV-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-4-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

286.03314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04042 162.0
[M+Na]+ 309.02236 173.8
[M-H]- 285.02586 169.0
[M+NH4]+ 304.06696 178.0
[M+K]+ 324.99630 165.1
[M+H-H2O]+ 269.03040 154.6
[M+HCOO]- 331.03134 174.9
[M+CH3COO]- 345.04699 174.2
[M+Na-2H]- 307.00781 162.9
[M]+ 286.03259 163.9
[M]- 286.03369 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.