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

47
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 149.1
[M+Na]+ 259.98104 158.7
[M-H]- 235.98454 152.2
[M+NH4]+ 255.02564 167.0
[M+K]+ 275.95498 151.5
[M+H-H2O]+ 219.98908 144.1
[M+HCOO]- 281.99002 158.9
[M+CH3COO]- 296.00567 160.6
[M+Na-2H]- 257.96649 146.8
[M]+ 236.99127 147.0
[M]- 236.99237 147.0
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