CID 57973310

945459-95-0

Structural Information

Molecular Formula

C₁₀H₁₃FNOP

SMILES

C1CP(=O)(CCN1)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H13FNOP/c11-9-1-3-10(4-2-9)14(13)7-5-12-6-8-14/h1-4,12H,5-8H2

InChIKey

WHEAJYGEMOYNJM-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-1,4lambda5-azaphosphinane 4-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 213.07188 Da
Monoisotopic Mass: 0.4
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]+	214.07916	146.4
[M+Na]+	236.06110	152.7
[M-H]-	212.06460	147.4
[M+NH4]+	231.10570	165.1
[M+K]+	252.03504	149.1
[M+H-H2O]+	196.06914	136.2
[M+HCOO]-	258.07008	169.3
[M+CH3COO]-	272.08573	182.5
[M+Na-2H]-	234.04655	148.5
[M]+	213.07133	139.9
[M]-	213.07243	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe