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 162.9
[M+Na]+ 309.02236 180.2
[M+NH4]+ 304.06696 172.6
[M+K]+ 324.99630 170.2
[M-H]- 285.02586 168.9
[M+Na-2H]- 307.00781 173.4
[M]+ 286.03259 168.0
[M]- 286.03369 168.0
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.