CID 205396

Rhodanine, 3-(4-bromo-3-chlorophenyl)-

Structural Information

Molecular Formula
C9H5BrClNOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Br)Cl
InChI
InChI=1S/C9H5BrClNOS2/c10-6-2-1-5(3-7(6)11)12-8(13)4-15-9(12)14/h1-3H,4H2
InChIKey
YIXRQTBANVRSCN-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.86844 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.87572 143.2
[M+Na]+ 343.85766 159.3
[M-H]- 319.86116 152.6
[M+NH4]+ 338.90226 164.6
[M+K]+ 359.83160 144.6
[M+H-H2O]+ 303.86570 145.6
[M+HCOO]- 365.86664 150.4
[M+CH3COO]- 379.88229 158.8
[M+Na-2H]- 341.84311 144.3
[M]+ 320.86789 164.4
[M]- 320.86899 164.4
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.