CID 1478389

338753-34-7

Structural Information

Molecular Formula
C9H8BrNOS
SMILES
C1C(=O)N(CS1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrNOS/c10-7-1-3-8(4-2-7)11-6-13-5-9(11)12/h1-4H,5-6H2
InChIKey
LLSPTZFYPJPSCT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.951 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.95828 140.5
[M+Na]+ 279.94022 153.6
[M-H]- 255.94372 149.3
[M+NH4]+ 274.98482 162.7
[M+K]+ 295.91416 142.2
[M+H-H2O]+ 239.94826 141.1
[M+HCOO]- 301.94920 156.9
[M+CH3COO]- 315.96485 156.2
[M+Na-2H]- 277.92567 144.1
[M]+ 256.95045 159.2
[M]- 256.95155 159.2
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.