CID 211689

23517-55-7

Structural Information

Molecular Formula
C12H11BrClNOS2
SMILES
CCCC1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Br)Cl
InChI
InChI=1S/C12H11BrClNOS2/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
IKQPMUNSQCTZEF-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-chlorophenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.9154 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.92268 155.3
[M+Na]+ 385.90462 170.8
[M-H]- 361.90812 164.4
[M+NH4]+ 380.94922 175.3
[M+K]+ 401.87856 155.4
[M+H-H2O]+ 345.91266 157.2
[M+HCOO]- 407.91360 161.4
[M+CH3COO]- 421.92925 206.0
[M+Na-2H]- 383.89007 154.5
[M]+ 362.91485 177.7
[M]- 362.91595 177.7
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

No patent data available for this compound.