CID 210690

Rhodanine, 3-(4-bromo-m-tolyl)-

Structural Information

Molecular Formula
C10H8BrNOS2
SMILES
CC1=C(C=CC(=C1)N2C(=O)CSC2=S)Br
InChI
InChI=1S/C10H8BrNOS2/c1-6-4-7(2-3-8(6)11)12-9(13)5-15-10(12)14/h2-4H,5H2,1H3
InChIKey
SCSBQFJJGSYFEZ-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.92307 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.93035 139.3
[M+Na]+ 323.91229 142.5
[M+NH4]+ 318.95689 145.0
[M+K]+ 339.88623 141.0
[M-H]- 299.91579 141.2
[M+Na-2H]- 321.89774 142.3
[M]+ 300.92252 139.9
[M]- 300.92362 139.9
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.