CID 205400

17918-10-4

Structural Information

Molecular Formula
C11H9BrClNOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Br)Cl
InChI
InChI=1S/C11H9BrClNOS2/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
UHMUBUJKMYUZOE-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-chlorophenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.89975 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.90703 151.1
[M+Na]+ 371.88897 167.0
[M-H]- 347.89247 160.4
[M+NH4]+ 366.93357 171.7
[M+K]+ 387.86291 151.8
[M+H-H2O]+ 331.89701 153.2
[M+HCOO]- 393.89795 157.5
[M+CH3COO]- 407.91360 166.2
[M+Na-2H]- 369.87442 150.8
[M]+ 348.89920 173.2
[M]- 348.90030 173.2
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