CID 22020121

1-chloro-1lambda5-phospholan-1-one

Structural Information

Molecular Formula

SMILES

C1CCP(=O)(C1)Cl

InChI

InChI=1S/C4H8ClOP/c5-7(6)3-1-2-4-7/h1-4H2

InChIKey

HSTMXYOTKHYYBO-UHFFFAOYSA-N

Compound name

1-chloro-1lambda5-phospholane 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 138.00012 Da
Monoisotopic Mass: 0.7
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]+	139.00740	123.6
[M+Na]+	160.98934	132.4
[M-H]-	136.99284	126.1
[M+NH4]+	156.03394	150.3
[M+K]+	176.96328	130.1
[M+H-H2O]+	120.99738	118.3
[M+HCOO]-	182.99832	148.5
[M+CH3COO]-	197.01397	168.8
[M+Na-2H]-	158.97479	127.2
[M]+	137.99957	123.7
[M]-	138.00067	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe