CID 205398

Rhodanine, 3-(3,4-dichlorophenyl)-5-propyl-

Structural Information

Molecular Formula
C12H11Cl2NOS2
SMILES
CCCC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H11Cl2NOS2/c1-2-3-10-11(16)15(12(17)18-10)7-4-5-8(13)9(14)6-7/h4-6,10H,2-3H2,1H3
InChIKey
DHQIBYQHVHEOLZ-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.9659 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.97318 166.3
[M+Na]+ 341.95512 177.7
[M-H]- 317.95862 172.1
[M+NH4]+ 336.99972 184.2
[M+K]+ 357.92906 169.9
[M+H-H2O]+ 301.96316 162.3
[M+HCOO]- 363.96410 168.3
[M+CH3COO]- 377.97975 201.7
[M+Na-2H]- 339.94057 161.3
[M]+ 318.96535 170.9
[M]- 318.96645 170.9
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