CID 2760384

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

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC=C(C=C1)N2C=CNC2=S
InChI
InChI=1S/C9H8N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChIKey
VXEUGLRMYAXWKM-UHFFFAOYSA-N
Compound name
3-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

614
Patents

176.04082 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.048096 133.9
[M+Na]+ 199.030038 144.5
[M-H]- 175.033544 137.7
[M+NH4]+ 194.074643 153.5
[M+K]+ 215.003978 139.5
[M+H-H2O]+ 159.038080 127.3
[M+HCOO]- 221.039021 152.0
[M+CH3COO]- 235.054671 147.6
[M+Na-2H]- 197.015486 137.4
[M]+ 176.04027142 133.4
[M]- 176.04136858 133.4
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