CID 501034

Chembl150379

Structural Information

Molecular Formula
C14H9BrClFN2OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=NC=C(C=C3)Br
InChI
InChI=1S/C14H9BrClFN2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
InChIKey
NPYUBWXOZCAGDE-UHFFFAOYSA-N
Compound name
3-(5-bromopyridin-2-yl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

385.92914 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.93642 168.1
[M+Na]+ 408.91836 183.3
[M-H]- 384.92186 177.7
[M+NH4]+ 403.96296 185.2
[M+K]+ 424.89230 168.8
[M+H-H2O]+ 368.92640 167.2
[M+HCOO]- 430.92734 177.7
[M+CH3COO]- 444.94299 182.0
[M+Na-2H]- 406.90381 168.6
[M]+ 385.92859 188.6
[M]- 385.92969 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.