CID 2743614

93103-18-5

Structural Information

Molecular Formula
C9H7ClN2S
SMILES
C1=CC(=CC=C1C2=CNC(=S)N2)Cl
InChI
InChI=1S/C9H7ClN2S/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKey
FXPJQESWXQDJOW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

210.00185 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00913 140.6
[M+Na]+ 232.99107 152.1
[M-H]- 208.99457 143.1
[M+NH4]+ 228.03567 159.1
[M+K]+ 248.96501 144.6
[M+H-H2O]+ 192.99911 135.0
[M+HCOO]- 255.00005 152.4
[M+CH3COO]- 269.01570 153.4
[M+Na-2H]- 230.97652 142.5
[M]+ 210.00130 140.4
[M]- 210.00240 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe