CID 5810640

5-[(3,4-dichlorophenyl)methylene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C11H7Cl2NOS2
SMILES
CN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)Cl)/SC1=S
InChI
InChI=1S/C11H7Cl2NOS2/c1-14-10(15)9(17-11(14)16)5-6-2-3-7(12)8(13)4-6/h2-5H,1H3/b9-5+
InChIKey
PDVMSIHIZHOYNX-WEVVVXLNSA-N
Compound name
(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.9346 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.94188 162.3
[M+Na]+ 325.92382 174.5
[M-H]- 301.92732 168.3
[M+NH4]+ 320.96842 180.8
[M+K]+ 341.89776 166.3
[M+H-H2O]+ 285.93186 158.6
[M+HCOO]- 347.93280 164.8
[M+CH3COO]- 361.94845 174.2
[M+Na-2H]- 323.90927 157.6
[M]+ 302.93405 165.8
[M]- 302.93515 165.8
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.