CID 204626

16711-82-3

Structural Information

Molecular Formula
C10H7Cl2NOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H7Cl2NOS2/c1-5-9(14)13(10(15)16-5)6-2-3-7(11)8(12)4-6/h2-5H,1H3
InChIKey
IIWSQRUAVAFXPA-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.9346 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.94188 158.0
[M+Na]+ 313.92382 170.2
[M-H]- 289.92732 164.1
[M+NH4]+ 308.96842 176.9
[M+K]+ 329.89776 162.9
[M+H-H2O]+ 273.93186 154.4
[M+HCOO]- 335.93280 160.6
[M+CH3COO]- 349.94845 170.2
[M+Na-2H]- 311.90927 153.8
[M]+ 290.93405 161.9
[M]- 290.93515 161.9
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

patents stripe