CID 3068881

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

Structural Information

Molecular Formula
C12H12ClNOS
SMILES
CN1CCCC12C3=C(C=CC(=C3)Cl)C(=S)O2
InChI
InChI=1S/C12H12ClNOS/c1-14-6-2-5-12(14)10-7-8(13)3-4-9(10)11(16)15-12/h3-4,7H,2,5-6H2,1H3
InChIKey
TUPKYRVTDAYMMS-UHFFFAOYSA-N
Compound name
5-chloro-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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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.

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No literature data available for this compound.

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No patent data available for this compound.