CID 145874234

2375270-98-5

Structural Information

Molecular Formula

C₁₀H₁₂BrOP

SMILES

C1CCP(=O)(C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H12BrOP/c11-9-3-5-10(6-4-9)13(12)7-1-2-8-13/h3-6H,1-2,7-8H2

InChIKey

UNWJREVKKPRABX-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-1lambda5-phospholane 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.9809 Da
Monoisotopic Mass: 2.1
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]+	258.98818	158.0
[M+Na]+	280.97012	169.1
[M-H]-	256.97362	166.1
[M+NH4]+	276.01472	182.4
[M+K]+	296.94406	158.1
[M+H-H2O]+	240.97816	156.6
[M+HCOO]-	302.97910	184.1
[M+CH3COO]-	316.99475	189.5
[M+Na-2H]-	278.95557	160.4
[M]+	257.98035	175.0
[M]-	257.98145	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe