CID 6478146

Schembl7972354

Structural Information

Molecular Formula
C16H8Cl3NO3S3
SMILES
C1=CC(=CC=C1S(=O)(=O)N2C(=O)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/SC2=S)Cl
InChI
InChI=1S/C16H8Cl3NO3S3/c17-10-2-4-11(5-3-10)26(22,23)20-15(21)14(25-16(20)24)8-9-1-6-12(18)13(19)7-9/h1-8H/b14-8-
InChIKey
ZKRWAODJWCSAQT-ZSOIEALJSA-N
Compound name
(5Z)-3-(4-chlorophenyl)sulfonyl-5-[(3,4-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

462.8732 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.88048 200.6
[M+Na]+ 485.86242 211.7
[M-H]- 461.86592 208.2
[M+NH4]+ 480.90702 212.3
[M+K]+ 501.83636 202.1
[M+H-H2O]+ 445.87046 197.3
[M+HCOO]- 507.87140 192.5
[M+CH3COO]- 521.88705 208.6
[M+Na-2H]- 483.84787 196.0
[M]+ 462.87265 204.3
[M]- 462.87375 204.3
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