CID 1241130

81154-13-4

Structural Information

Molecular Formula
C10H7NO2S2
SMILES
C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)O
InChI
InChI=1S/C10H7NO2S2/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5+
InChIKey
RAYIDZVPIAJJPF-VMPITWQZSA-N
Compound name
(5E)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

46
Patents

236.99182 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99910 150.6
[M+Na]+ 259.98104 161.0
[M+NH4]+ 255.02564 158.4
[M+K]+ 275.95498 153.2
[M-H]- 235.98454 152.3
[M+Na-2H]- 257.96649 154.1
[M]+ 236.99127 153.2
[M]- 236.99237 153.2
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