CID 1132611

4-phenyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC=C(C=C1)C2=CNC(=S)N2
InChI
InChI=1S/C9H8N2S/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)
InChIKey
ISOLPDRTYOTMTO-UHFFFAOYSA-N
Compound name
4-phenyl-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

392
Patents

176.04082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04810 134.3
[M+Na]+ 199.03004 144.4
[M-H]- 175.03354 136.6
[M+NH4]+ 194.07464 153.1
[M+K]+ 215.00398 138.4
[M+H-H2O]+ 159.03808 127.9
[M+HCOO]- 221.03902 150.8
[M+CH3COO]- 235.05467 147.2
[M+Na-2H]- 197.01549 137.3
[M]+ 176.04027 131.9
[M]- 176.04137 131.9
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

patents stripe