CID 25058721

2-(2-chloro-6-fluoro-phenyl)-3-[(5-methyl-2-furyl)methyl]thiazolidin-4-one

Structural Information

Molecular Formula
C15H13ClFNO2S
SMILES
CC1=CC=C(O1)CN2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C15H13ClFNO2S/c1-9-5-6-10(20-9)7-18-13(19)8-21-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3
InChIKey
MSGCFHYBGUYTCF-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-[(5-methylfuran-2-yl)methyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.03397 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.04125 172.4
[M+Na]+ 348.02319 184.0
[M-H]- 324.02669 181.8
[M+NH4]+ 343.06779 189.8
[M+K]+ 363.99713 179.0
[M+H-H2O]+ 308.03123 166.1
[M+HCOO]- 370.03217 184.6
[M+CH3COO]- 384.04782 185.1
[M+Na-2H]- 346.00864 168.2
[M]+ 325.03342 177.0
[M]- 325.03452 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.