CID 205399

17918-09-1

Structural Information

Molecular Formula
C10H7BrClNOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Br)Cl
InChI
InChI=1S/C10H7BrClNOS2/c1-5-9(14)13(10(15)16-5)6-2-3-7(11)8(12)4-6/h2-5H,1H3
InChIKey
DFCWUEYQIWRWTG-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.8841 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.89138 146.9
[M+Na]+ 357.87332 163.2
[M-H]- 333.87682 156.4
[M+NH4]+ 352.91792 168.0
[M+K]+ 373.84726 148.3
[M+H-H2O]+ 317.88136 149.2
[M+HCOO]- 379.88230 153.6
[M+CH3COO]- 393.89795 162.4
[M+Na-2H]- 355.85877 147.0
[M]+ 334.88355 168.7
[M]- 334.88465 168.7
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

patents stripe