CID 2517663

3-(4-chloro-2-methylphenyl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=O)CNC2=S
InChI
InChI=1S/C10H9ClN2OS/c1-6-4-7(11)2-3-8(6)13-9(14)5-12-10(13)15/h2-4H,5H2,1H3,(H,12,15)
InChIKey
FLYGZWLZEIKCIM-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0124 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01968 150.4
[M+Na]+ 263.00162 161.6
[M-H]- 239.00512 154.1
[M+NH4]+ 258.04622 168.5
[M+K]+ 278.97556 155.1
[M+H-H2O]+ 223.00966 144.7
[M+HCOO]- 285.01060 160.8
[M+CH3COO]- 299.02625 162.8
[M+Na-2H]- 260.98707 148.9
[M]+ 240.01185 151.0
[M]- 240.01295 151.0
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