CID 5221308

6-fluoro-2,3-dihydrospiro[1lambda6-benzothiopyran-4,4'-imidazolidine]-1,1,2',5'-tetrone

Structural Information

Molecular Formula
C11H9FN2O4S
SMILES
C1CS(=O)(=O)C2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F
InChI
InChI=1S/C11H9FN2O4S/c12-6-1-2-8-7(5-6)11(3-4-19(8,17)18)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKey
YTHRHFDCECODBU-UHFFFAOYSA-N
Compound name
6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

284.0267 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03398 156.1
[M+Na]+ 307.01592 167.6
[M-H]- 283.01942 156.8
[M+NH4]+ 302.06052 175.8
[M+K]+ 322.98986 161.8
[M+H-H2O]+ 267.02396 150.5
[M+HCOO]- 329.02490 166.2
[M+CH3COO]- 343.04055 167.3
[M+Na-2H]- 305.00137 159.5
[M]+ 284.02615 153.5
[M]- 284.02725 153.5
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

patents stripe