CID 3068886

5-fluoro-1'-methylspiro(benzo(c)thiophene-1(3h),2'-pyrrolidin)-3-one

Structural Information

Molecular Formula
C12H12FNOS
SMILES
CN1CCCC12C3=C(C=C(C=C3)F)C(=S)O2
InChI
InChI=1S/C12H12FNOS/c1-14-6-2-5-12(14)10-4-3-8(13)7-9(10)11(16)15-12/h3-4,7H,2,5-6H2,1H3
InChIKey
MTOIIUCZBIDWQR-UHFFFAOYSA-N
Compound name
6-fluoro-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
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]+ 238.06964 152.0
[M+Na]+ 260.05158 163.0
[M+NH4]+ 255.09618 162.7
[M+K]+ 276.02552 156.1
[M-H]- 236.05508 154.7
[M+Na-2H]- 258.03703 156.1
[M]+ 237.06181 154.9
[M]- 237.06291 154.9
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.