CID 211694

23517-61-5

Structural Information

Molecular Formula
C12H12ClNOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)C
InChI
InChI=1S/C12H12ClNOS2/c1-3-10-11(15)14(12(16)17-10)8-4-5-9(13)7(2)6-8/h4-6,10H,3H2,1-2H3
InChIKey
NYAPPAVSZWUKCF-UHFFFAOYSA-N
Compound name
3-(4-chloro-3-methylphenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.00488 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.01216 163.7
[M+Na]+ 307.99410 176.7
[M+NH4]+ 303.03870 172.9
[M+K]+ 323.96804 166.7
[M-H]- 283.99760 167.2
[M+Na-2H]- 305.97955 167.8
[M]+ 285.00433 167.8
[M]- 285.00543 167.8
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.