CID 6482980

2-(2-chloro-6-fluoro-phenyl)-3-(2-furylmethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C14H11ClFNO2S
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)CC3=CC=CO3
InChI
InChI=1S/C14H11ClFNO2S/c15-10-4-1-5-11(16)13(10)14-17(12(18)8-20-14)7-9-3-2-6-19-9/h1-6,14H,7-8H2
InChIKey
HPAWDZLMMDNVNB-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

311.0183 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.02558 168.0
[M+Na]+ 334.00752 179.2
[M-H]- 310.01102 177.1
[M+NH4]+ 329.05212 185.6
[M+K]+ 349.98146 174.5
[M+H-H2O]+ 294.01556 161.6
[M+HCOO]- 356.01650 180.6
[M+CH3COO]- 370.03215 180.7
[M+Na-2H]- 331.99297 164.9
[M]+ 311.01775 171.8
[M]- 311.01885 171.8
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.