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]+ 287.040416 162.0
[M+Na]+ 309.022358 173.8
[M-H]- 285.025864 169.0
[M+NH4]+ 304.066963 178.0
[M+K]+ 324.996298 165.1
[M+H-H2O]+ 269.030400 154.6
[M+HCOO]- 331.031341 174.9
[M+CH3COO]- 345.046991 174.2
[M+Na-2H]- 307.007806 162.9
[M]+ 286.03259142 163.9
[M]- 286.03368858 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.