CID 503742

3-(3-bromophenyl)-2-(2,6-difluorophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C15H10BrF2NOS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=CC(=CC=C3)Br
InChI
InChI=1S/C15H10BrF2NOS/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
SYEWMKNQIONOJU-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.96344 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.97072 168.6
[M+Na]+ 391.95266 182.6
[M-H]- 367.95616 178.1
[M+NH4]+ 386.99726 186.6
[M+K]+ 407.92660 169.0
[M+H-H2O]+ 351.96070 166.8
[M+HCOO]- 413.96164 182.4
[M+CH3COO]- 427.97729 182.3
[M+Na-2H]- 389.93811 168.2
[M]+ 368.96289 186.1
[M]- 368.96399 186.1
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.