CID 503757

2-(2,6-difluorophenyl)-3-(3-nitrophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C15H10F2N2O3S
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H10F2N2O3S/c16-11-5-2-6-12(17)14(11)15-18(13(20)8-23-15)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2
InChIKey
YYDSYJKXJYWDBH-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.03802 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04530 171.3
[M+Na]+ 359.02724 179.5
[M-H]- 335.03074 177.9
[M+NH4]+ 354.07184 184.9
[M+K]+ 375.00118 169.7
[M+H-H2O]+ 319.03528 165.9
[M+HCOO]- 381.03622 187.4
[M+CH3COO]- 395.05187 201.5
[M+Na-2H]- 357.01269 171.2
[M]+ 336.03747 167.8
[M]- 336.03857 167.8
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.