CID 497221

3-(6-bromo-2-pyridyl)-2-(2,6-difluorophenyl)thiazolidine-4-thione

Structural Information

Molecular Formula
C14H9BrF2N2S2
SMILES
C1C(=S)N(C(S1)C2=C(C=CC=C2F)F)C3=NC(=CC=C3)Br
InChI
InChI=1S/C14H9BrF2N2S2/c15-10-5-2-6-11(18-10)19-12(20)7-21-14(19)13-8(16)3-1-4-9(13)17/h1-6,14H,7H2
InChIKey
XIWVPMYZOPWHIM-UHFFFAOYSA-N
Compound name
3-(6-bromopyridin-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.93585 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.94313 159.7
[M+Na]+ 408.92507 175.2
[M-H]- 384.92857 167.9
[M+NH4]+ 403.96967 176.5
[M+K]+ 424.89901 160.0
[M+H-H2O]+ 368.93311 158.6
[M+HCOO]- 430.93405 168.0
[M+CH3COO]- 444.94970 173.3
[M+Na-2H]- 406.91052 159.1
[M]+ 385.93530 177.2
[M]- 385.93640 177.2
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.