CID 210591

21346-21-4

Structural Information

Molecular Formula
C9H7NO2S2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)O
InChI
InChI=1S/C9H7NO2S2/c11-7-3-1-6(2-4-7)10-8(12)5-14-9(10)13/h1-4,11H,5H2
InChIKey
YUUFJQSSWHKSBR-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

224.99182 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99910 144.9
[M+Na]+ 247.98104 155.0
[M-H]- 223.98454 149.6
[M+NH4]+ 243.02564 164.0
[M+K]+ 263.95498 149.6
[M+H-H2O]+ 207.98908 139.7
[M+HCOO]- 269.99002 156.3
[M+CH3COO]- 284.00567 157.4
[M+Na-2H]- 245.96649 143.4
[M]+ 224.99127 145.0
[M]- 224.99237 145.0
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