CID 503741

624739-23-7

Structural Information

Molecular Formula
C15H10BrClFNOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=CC(=CC=C3)Br
InChI
InChI=1S/C15H10BrClFNOS/c16-9-3-1-4-10(7-9)19-13(20)8-21-15(19)14-11(17)5-2-6-12(14)18/h1-7,15H,8H2
InChIKey
GGOBUTOFDIUVIV-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-2-(2-chloro-6-fluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.9339 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.94118 170.4
[M+Na]+ 407.92312 185.3
[M-H]- 383.92662 181.2
[M+NH4]+ 402.96772 188.8
[M+K]+ 423.89706 170.6
[M+H-H2O]+ 367.93116 170.0
[M+HCOO]- 429.93210 180.9
[M+CH3COO]- 443.94775 184.5
[M+Na-2H]- 405.90857 170.4
[M]+ 384.93335 190.9
[M]- 384.93445 190.9
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.