CID 209814

20518-22-3

Structural Information

Molecular Formula
C10H8ClNOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-3-7(11)5-8/h2-6H,1H3
InChIKey
RYHYCGDCWBJCTO-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.97357 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.98085 151.7
[M+Na]+ 279.96279 163.3
[M-H]- 255.96629 158.1
[M+NH4]+ 275.00739 171.5
[M+K]+ 295.93673 156.8
[M+H-H2O]+ 239.97083 147.2
[M+HCOO]- 301.97177 159.4
[M+CH3COO]- 315.98742 164.6
[M+Na-2H]- 277.94824 148.8
[M]+ 256.97302 154.6
[M]- 256.97412 154.6
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.