CID 73822

1457-46-1

Structural Information

Molecular Formula
C9H7NOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=CC=C2
InChI
InChI=1S/C9H7NOS2/c11-8-6-13-9(12)10(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
DVRWEKGUWZINTQ-UHFFFAOYSA-N
Compound name
3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

723
Patents

208.9969 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00418 141.5
[M+Na]+ 231.98612 151.7
[M-H]- 207.98962 147.4
[M+NH4]+ 227.03072 161.9
[M+K]+ 247.96006 146.8
[M+H-H2O]+ 191.99416 135.9
[M+HCOO]- 253.99510 154.3
[M+CH3COO]- 268.01075 154.7
[M+Na-2H]- 229.97157 140.8
[M]+ 208.99635 141.7
[M]- 208.99745 141.7
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