CID 211696

23517-63-7

Structural Information

Molecular Formula
C11H10BrNOS2
SMILES
CC1C(=O)N(C(=S)S1)C2=C(C=C(C=C2)Br)C
InChI
InChI=1S/C11H10BrNOS2/c1-6-5-8(12)3-4-9(6)13-10(14)7(2)16-11(13)15/h3-5,7H,1-2H3
InChIKey
NUVSMIWXZZEJEO-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-methylphenyl)-5-methyl-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.94600 144.9
[M+Na]+ 337.92794 160.2
[M-H]- 313.93144 154.1
[M+NH4]+ 332.97254 165.9
[M+K]+ 353.90188 146.4
[M+H-H2O]+ 297.93598 146.3
[M+HCOO]- 359.93692 155.7
[M+CH3COO]- 373.95257 199.9
[M+Na-2H]- 335.91339 144.9
[M]+ 314.93817 165.5
[M]- 314.93927 165.5
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.