CID 3068897

5-chloro-1'-(4-chlorophenyl)spiro(benzo(c)thiophene-1(3h),2'-pyrrolidin)-3-one

Structural Information

Molecular Formula
C17H13Cl2NOS
SMILES
C1CC2(C3=C(C=C(C=C3)Cl)C(=S)O2)N(C1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H13Cl2NOS/c18-11-2-5-13(6-3-11)20-9-1-8-17(20)15-7-4-12(19)10-14(15)16(22)21-17/h2-7,10H,1,8-9H2
InChIKey
YLVKQKBWWALYHQ-UHFFFAOYSA-N
Compound name
6-chloro-1'-(4-chlorophenyl)spiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0095 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.01678 175.5
[M+Na]+ 371.99872 191.2
[M+NH4]+ 367.04332 187.6
[M+K]+ 387.97266 181.3
[M-H]- 348.00222 182.3
[M+Na-2H]- 369.98417 183.1
[M]+ 349.00895 181.1
[M]- 349.01005 181.1
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.