CID 339226

907558-63-8

Structural Information

Molecular Formula
C16H10ClFN2OS2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C16H10ClFN2OS2/c17-9-4-3-5-10(18)14(9)15-20(13(21)8-22-15)16-19-11-6-1-2-7-12(11)23-16/h1-7,15H,8H2
InChIKey
VEXGIKXEIYQXFJ-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-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

363.99072 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99800 178.5
[M+Na]+ 386.97994 192.9
[M-H]- 362.98344 187.3
[M+NH4]+ 382.02454 195.9
[M+K]+ 402.95388 185.0
[M+H-H2O]+ 346.98798 172.5
[M+HCOO]- 408.98892 186.3
[M+CH3COO]- 423.00457 190.6
[M+Na-2H]- 384.96539 175.2
[M]+ 363.99017 184.0
[M]- 363.99127 184.0
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.