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

23
Patents

210.00185 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.009126 140.6
[M+Na]+ 232.991068 152.1
[M-H]- 208.994574 143.1
[M+NH4]+ 228.035673 159.1
[M+K]+ 248.965008 144.6
[M+H-H2O]+ 192.999110 135.0
[M+HCOO]- 255.000051 152.4
[M+CH3COO]- 269.015701 153.4
[M+Na-2H]- 230.976516 142.5
[M]+ 210.00130142 140.4
[M]- 210.00239858 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