CID 737890

17452-12-9

Structural Information

Molecular Formula
C9H7ClN2S
SMILES
C1=CC(=CC=C1N2C=CNC2=S)Cl
InChI
InChI=1S/C9H7ClN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKey
QJWMVYCYPCPSKK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

210.00185 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00913 140.5
[M+Na]+ 232.99107 152.4
[M-H]- 208.99457 144.4
[M+NH4]+ 228.03567 159.7
[M+K]+ 248.96501 145.8
[M+H-H2O]+ 192.99911 134.4
[M+HCOO]- 255.00005 153.7
[M+CH3COO]- 269.01570 153.9
[M+Na-2H]- 230.97652 142.7
[M]+ 210.00130 142.0
[M]- 210.00240 142.0
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

patents stripe