CID 2864766

5-(4-bromoanilino)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C9H7BrN2O2S
SMILES
C1=CC(=CC=C1NC2C(=O)NC(=O)S2)Br
InChI
InChI=1S/C9H7BrN2O2S/c10-5-1-3-6(4-2-5)11-8-7(13)12-9(14)15-8/h1-4,8,11H,(H,12,13,14)
InChIKey
VOERHJCIEAUQPY-UHFFFAOYSA-N
Compound name
5-(4-bromoanilino)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.94116 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94844 145.7
[M+Na]+ 308.93038 157.9
[M-H]- 284.93388 153.0
[M+NH4]+ 303.97498 165.5
[M+K]+ 324.90432 144.9
[M+H-H2O]+ 268.93842 145.5
[M+HCOO]- 330.93936 161.6
[M+CH3COO]- 344.95501 192.1
[M+Na-2H]- 306.91583 148.9
[M]+ 285.94061 162.8
[M]- 285.94171 162.8
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.