CID 211656

23509-78-6

Structural Information

Molecular Formula
C15H12ClNOS2
SMILES
C1C(N(C(=S)S1)C2=CC(=CC=C2)Cl)(C3=CC=CC=C3)O
InChI
InChI=1S/C15H12ClNOS2/c16-12-7-4-8-13(9-12)17-14(19)20-10-15(17,18)11-5-2-1-3-6-11/h1-9,18H,10H2
InChIKey
FYSHQZSXWNAASC-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.00488 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01216 167.4
[M+Na]+ 343.99410 178.0
[M-H]- 319.99760 175.0
[M+NH4]+ 339.03870 185.4
[M+K]+ 359.96804 169.9
[M+H-H2O]+ 304.00214 162.2
[M+HCOO]- 366.00308 173.9
[M+CH3COO]- 380.01873 178.8
[M+Na-2H]- 341.97955 166.9
[M]+ 321.00433 168.9
[M]- 321.00543 168.9
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

No patent data available for this compound.