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 151.9
[M+Na]+ 263.00162 165.1
[M+NH4]+ 258.04622 160.2
[M+K]+ 278.97556 157.9
[M-H]- 239.00512 154.0
[M+Na-2H]- 260.98707 156.8
[M]+ 240.01185 155.0
[M]- 240.01295 155.0
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

No patent data available for this compound.