CID 388524

Nsc683508

Structural Information

Molecular Formula

C₁₅H₈FNOS

SMILES

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

InChI

InChI=1S/C15H8FNOS/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

KYYNSIZYORCZFZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 269.03107 Da
Monoisotopic Mass: 3.9
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]+	270.03835	158.5
[M+Na]+	292.02029	173.4
[M-H]-	268.02379	167.7
[M+NH4]+	287.06489	182.8
[M+K]+	307.99423	168.2
[M+H-H2O]+	252.02833	153.7
[M+HCOO]-	314.02927	179.8
[M+CH3COO]-	328.04492	173.7
[M+Na-2H]-	290.00574	158.3
[M]+	269.03052	164.9
[M]-	269.03162	164.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.