CID 513684

3-(6-bromopyridin-2-yl)-2-(2-chloro-6-fluoro-3-methylphenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C15H11BrClFN2OS
SMILES
CC1=C(C(=C(C=C1)F)C2N(C(=O)CS2)C3=NC(=CC=C3)Br)Cl
InChI
InChI=1S/C15H11BrClFN2OS/c1-8-5-6-9(18)13(14(8)17)15-20(12(21)7-22-15)11-4-2-3-10(16)19-11/h2-6,15H,7H2,1H3
InChIKey
IPJLBYHFWJWAKZ-UHFFFAOYSA-N
Compound name
3-(6-bromopyridin-2-yl)-2-(2-chloro-6-fluoro-3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.9448 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.95208 172.5
[M+Na]+ 422.93402 188.0
[M-H]- 398.93752 182.2
[M+NH4]+ 417.97862 189.2
[M+K]+ 438.90796 173.2
[M+H-H2O]+ 382.94206 171.4
[M+HCOO]- 444.94300 181.6
[M+CH3COO]- 458.95865 186.1
[M+Na-2H]- 420.91947 171.8
[M]+ 399.94425 193.6
[M]- 399.94535 193.6
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.