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 155.0
[M+Na]+ 276.02202 166.9
[M-H]- 252.02552 161.9
[M+NH4]+ 271.06662 178.6
[M+K]+ 291.99596 162.6
[M+H-H2O]+ 236.03006 151.3
[M+HCOO]- 298.03100 166.0
[M+CH3COO]- 312.04665 168.6
[M+Na-2H]- 274.00747 155.7
[M]+ 253.03225 158.2
[M]- 253.03335 158.2
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.