CID 6482981

2-(2-chlorophenyl)-3-(2-furylmethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C14H12ClNO2S
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2Cl)CC3=CC=CO3
InChI
InChI=1S/C14H12ClNO2S/c15-12-6-2-1-5-11(12)14-16(13(17)9-19-14)8-10-4-3-7-18-10/h1-7,14H,8-9H2
InChIKey
CXVVIPRYRWRSEC-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.02774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03502 166.2
[M+Na]+ 316.01696 176.6
[M-H]- 292.02046 176.4
[M+NH4]+ 311.06156 184.3
[M+K]+ 331.99090 172.3
[M+H-H2O]+ 276.02500 160.5
[M+HCOO]- 338.02594 179.8
[M+CH3COO]- 352.04159 179.2
[M+Na-2H]- 314.00241 164.2
[M]+ 293.02719 170.5
[M]- 293.02829 170.5
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.