CID 3068889

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

Structural Information

Molecular Formula
C14H16ClNOS
SMILES
CCCN1CCCC12C3=C(C=C(C=C3)Cl)C(=S)O2
InChI
InChI=1S/C14H16ClNOS/c1-2-7-16-8-3-6-14(16)12-5-4-10(15)9-11(12)13(18)17-14/h4-5,9H,2-3,6-8H2,1H3
InChIKey
IYFWYWCKVWAJDD-UHFFFAOYSA-N
Compound name
6-chloro-1'-propylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06412 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07140 164.0
[M+Na]+ 304.05334 175.0
[M-H]- 280.05684 170.5
[M+NH4]+ 299.09794 186.5
[M+K]+ 320.02728 170.2
[M+H-H2O]+ 264.06138 159.9
[M+HCOO]- 326.06232 174.3
[M+CH3COO]- 340.07797 176.7
[M+Na-2H]- 302.03879 163.7
[M]+ 281.06357 167.8
[M]- 281.06467 167.8
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.