CID 211845

23605-92-7

Structural Information

Molecular Formula
C11H10BrNOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H10BrNOS2/c1-2-9-10(14)13(11(15)16-9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3
InChIKey
IGEXBPYVZHEQMM-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.93872 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.94600 145.6
[M+Na]+ 337.92794 160.2
[M-H]- 313.93144 154.5
[M+NH4]+ 332.97254 166.4
[M+K]+ 353.90188 146.5
[M+H-H2O]+ 297.93598 146.8
[M+HCOO]- 359.93692 156.5
[M+CH3COO]- 373.95257 198.9
[M+Na-2H]- 335.91339 146.1
[M]+ 314.93817 165.9
[M]- 314.93927 165.9
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

No patent data available for this compound.