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 148.8
[M+Na]+ 260.05158 160.2
[M-H]- 236.05508 154.5
[M+NH4]+ 255.09618 172.3
[M+K]+ 276.02552 157.1
[M+H-H2O]+ 220.05962 143.8
[M+HCOO]- 282.06056 163.5
[M+CH3COO]- 296.07621 162.5
[M+Na-2H]- 258.03703 149.7
[M]+ 237.06181 149.3
[M]- 237.06291 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.