CID 3068914

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

Structural Information

Molecular Formula
C13H14ClNOS
SMILES
CCN1CCCC12C3=C(C=C(C=C3)Cl)C(=S)O2
InChI
InChI=1S/C13H14ClNOS/c1-2-15-7-3-6-13(15)11-5-4-9(14)8-10(11)12(17)16-13/h4-5,8H,2-3,6-7H2,1H3
InChIKey
SZHNOFAGFCADGE-UHFFFAOYSA-N
Compound name
6-chloro-1'-ethylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04846 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05574 159.5
[M+Na]+ 290.03768 171.0
[M-H]- 266.04118 166.2
[M+NH4]+ 285.08228 182.6
[M+K]+ 306.01162 166.4
[M+H-H2O]+ 250.04572 155.6
[M+HCOO]- 312.04666 170.1
[M+CH3COO]- 326.06231 172.7
[M+Na-2H]- 288.02313 159.7
[M]+ 267.04791 163.0
[M]- 267.04901 163.0
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.