CID 324639

3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C9H6FNOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H6FNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKey
KQOPBWMREOTAOQ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

226.98749 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99477 142.8
[M+Na]+ 249.97671 153.7
[M-H]- 225.98021 147.6
[M+NH4]+ 245.02131 162.6
[M+K]+ 265.95065 148.3
[M+H-H2O]+ 209.98475 136.4
[M+HCOO]- 271.98569 154.5
[M+CH3COO]- 286.00134 155.7
[M+Na-2H]- 247.96216 141.0
[M]+ 226.98694 142.4
[M]- 226.98804 142.4
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

patents stripe