CID 83070

Rhodanine, 3-(4-chlorophenyl)-

Structural Information

Molecular Formula
C9H6ClNOS2
SMILES
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H6ClNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKey
JRWQAQZBEVDDQC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

242.95793 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96521 147.9
[M+Na]+ 265.94715 159.3
[M-H]- 241.95065 154.2
[M+NH4]+ 260.99175 168.0
[M+K]+ 281.92109 153.0
[M+H-H2O]+ 225.95519 143.3
[M+HCOO]- 287.95613 156.1
[M+CH3COO]- 301.97178 161.0
[M+Na-2H]- 263.93260 146.1
[M]+ 242.95738 150.1
[M]- 242.95848 150.1
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