CID 275673

3-phenyl-2-thiazolidinethione

Structural Information

Molecular Formula
C9H9NS2
SMILES
C1CSC(=S)N1C2=CC=CC=C2
InChI
InChI=1S/C9H9NS2/c11-9-10(6-7-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
WUSPQEKXSXCOJF-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

195.01764 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02492 138.1
[M+Na]+ 218.00686 147.5
[M-H]- 194.01036 143.8
[M+NH4]+ 213.05146 159.1
[M+K]+ 233.98080 142.9
[M+H-H2O]+ 178.01490 132.4
[M+HCOO]- 240.01584 150.7
[M+CH3COO]- 254.03149 151.3
[M+Na-2H]- 215.99231 137.9
[M]+ 195.01709 137.3
[M]- 195.01819 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe