CID 205397

17918-07-9

Structural Information

Molecular Formula
C11H9Cl2NOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H9Cl2NOS2/c1-2-9-10(15)14(11(16)17-9)6-3-4-7(12)8(13)5-6/h3-5,9H,2H2,1H3
InChIKey
CVTAWMCXLDIUPV-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.95026 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.95754 162.2
[M+Na]+ 327.93948 174.0
[M-H]- 303.94298 168.1
[M+NH4]+ 322.98408 180.6
[M+K]+ 343.91342 166.4
[M+H-H2O]+ 287.94752 158.4
[M+HCOO]- 349.94846 164.5
[M+CH3COO]- 363.96411 174.0
[M+Na-2H]- 325.92493 157.6
[M]+ 304.94971 166.4
[M]- 304.95081 166.4
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