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 139.9
[M+Na]+ 279.94022 143.0
[M+NH4]+ 274.98482 145.7
[M+K]+ 295.91416 142.7
[M-H]- 255.94372 141.7
[M+Na-2H]- 277.92567 143.8
[M]+ 256.95045 140.0
[M]- 256.95155 140.0
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.