CID 211731

Rhodanine, 3-(p-chlorobenzyl)-

Structural Information

Molecular Formula
C10H8ClNOS2
SMILES
C1C(=O)N(C(=S)S1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H8ClNOS2/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6H2
InChIKey
HMIQWKDBBGWKNX-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

256.97357 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.98085 152.2
[M+Na]+ 279.96279 163.1
[M-H]- 255.96629 158.2
[M+NH4]+ 275.00739 171.7
[M+K]+ 295.93673 156.6
[M+H-H2O]+ 239.97083 147.4
[M+HCOO]- 301.97177 160.0
[M+CH3COO]- 315.98742 164.8
[M+Na-2H]- 277.94824 149.9
[M]+ 256.97302 154.7
[M]- 256.97412 154.7
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