CID 211727

23522-62-5

Structural Information

Molecular Formula
C12H12BrNOS2
SMILES
CCCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H12BrNOS2/c1-2-3-10-11(15)14(12(16)17-10)9-6-4-8(13)5-7-9/h4-7,10H,2-3H2,1H3
InChIKey
HHEAOHFAVWGTJI-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.95438 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.96166 149.8
[M+Na]+ 351.94360 164.0
[M-H]- 327.94710 158.5
[M+NH4]+ 346.98820 170.0
[M+K]+ 367.91754 150.0
[M+H-H2O]+ 311.95164 150.8
[M+HCOO]- 373.95258 160.4
[M+CH3COO]- 387.96823 201.6
[M+Na-2H]- 349.92905 149.9
[M]+ 328.95383 170.4
[M]- 328.95493 170.4
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

No patent data available for this compound.