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 180.5
[M+Na]+ 371.99872 192.9
[M-H]- 348.00222 189.8
[M+NH4]+ 367.04332 200.4
[M+K]+ 387.97266 186.2
[M+H-H2O]+ 332.00676 175.6
[M+HCOO]- 394.00770 186.2
[M+CH3COO]- 408.02335 192.3
[M+Na-2H]- 369.98417 178.9
[M]+ 349.00895 184.6
[M]- 349.01005 184.6
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.