CID 3068882

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

Structural Information

Molecular Formula
C12H12ClNOS
SMILES
CN1CCCC12C3=C(C=C(C=C3)Cl)C(=S)O2
InChI
InChI=1S/C12H12ClNOS/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
VUGSKKDCSXYTHS-UHFFFAOYSA-N
Compound name
6-chloro-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04008 153.1
[M+Na]+ 276.02202 166.0
[M+NH4]+ 271.06662 164.9
[M+K]+ 291.99596 158.2
[M-H]- 252.02552 157.5
[M+Na-2H]- 274.00747 158.3
[M]+ 253.03225 157.2
[M]- 253.03335 157.2
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.