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 160.1
[M+Na]+ 307.99410 170.9
[M-H]- 283.99760 166.2
[M+NH4]+ 303.03870 178.8
[M+K]+ 323.96804 163.9
[M+H-H2O]+ 268.00214 155.2
[M+HCOO]- 330.00308 167.2
[M+CH3COO]- 344.01873 196.2
[M+Na-2H]- 305.97955 156.4
[M]+ 285.00433 163.7
[M]- 285.00543 163.7
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.