CID 16226746

3-cyclopropyl-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C12H12FNOS
SMILES
C1CC1N2C(SCC2=O)C3=CC=CC=C3F
InChI
InChI=1S/C12H12FNOS/c13-10-4-2-1-3-9(10)12-14(8-5-6-8)11(15)7-16-12/h1-4,8,12H,5-7H2
InChIKey
MYVFNDBAEFQSQE-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06236 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.069636 145.2
[M+Na]+ 260.051578 155.7
[M-H]- 236.055084 153.3
[M+NH4]+ 255.096183 159.4
[M+K]+ 276.025518 150.9
[M+H-H2O]+ 220.059620 137.5
[M+HCOO]- 282.060561 161.9
[M+CH3COO]- 296.076211 157.8
[M+Na-2H]- 258.037026 144.8
[M]+ 237.06181142 146.4
[M]- 237.06290858 146.4
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.