CID 388525

Nsc683509

Structural Information

Molecular Formula

C₁₅H₈ClNOS

SMILES

C1=CN2C(=C1)C(=O)C3=C2C(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C15H8ClNOS/c16-10-5-3-9(4-6-10)11-8-19-15-13(11)17-7-1-2-12(17)14(15)18/h1-8H

InChIKey

MPKUTAGHBXQZRX-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)thieno[2,3-b]pyrrolizin-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 285.00153 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.00881	166.6
[M+Na]+	307.99075	182.1
[M-H]-	283.99425	176.9
[M+NH4]+	303.03535	191.1
[M+K]+	323.96469	175.8
[M+H-H2O]+	267.99879	162.8
[M+HCOO]-	329.99973	184.0
[M+CH3COO]-	344.01538	181.6
[M+Na-2H]-	305.97620	166.0
[M]+	285.00098	175.7
[M]-	285.00208	175.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.