CID 211724

23522-53-4

Structural Information

Molecular Formula
C12H12ClNOS2
SMILES
CCCC1C(=O)N(C(=S)S1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H12ClNOS2/c1-2-4-10-11(15)14(12(16)17-10)9-6-3-5-8(13)7-9/h3,5-7,10H,2,4H2,1H3
InChIKey
XVOCCZZFZQZAJB-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-5-propyl-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 162.9
[M+Na]+ 307.99410 175.6
[M+NH4]+ 303.03870 172.1
[M+K]+ 323.96804 165.5
[M-H]- 283.99760 166.4
[M+Na-2H]- 305.97955 167.3
[M]+ 285.00433 166.9
[M]- 285.00543 166.9
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.