CID 211688

23517-51-3

Structural Information

Molecular Formula
C13H13Cl2NOS2
SMILES
CCCCC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H13Cl2NOS2/c1-2-3-4-11-12(17)16(13(18)19-11)8-5-6-9(14)10(15)7-8/h5-7,11H,2-4H2,1H3
InChIKey
MWVSWFYBSIHDNR-UHFFFAOYSA-N
Compound name
5-butyl-3-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.98157 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.98885 170.5
[M+Na]+ 355.97079 181.4
[M-H]- 331.97429 176.1
[M+NH4]+ 351.01539 187.8
[M+K]+ 371.94473 173.4
[M+H-H2O]+ 315.97883 166.3
[M+HCOO]- 377.97977 172.2
[M+CH3COO]- 391.99542 204.5
[M+Na-2H]- 353.95624 165.0
[M]+ 332.98102 175.4
[M]- 332.98212 175.4
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.