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]+ 238.069636 148.8
[M+Na]+ 260.051578 160.2
[M-H]- 236.055084 154.5
[M+NH4]+ 255.096183 172.3
[M+K]+ 276.025518 157.1
[M+H-H2O]+ 220.059620 143.8
[M+HCOO]- 282.060561 163.5
[M+CH3COO]- 296.076211 162.5
[M+Na-2H]- 258.037026 149.7
[M]+ 237.06181142 149.3
[M]- 237.06290858 149.3
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.