CID 83664

Cyclohexyldiphenylphosphine oxide

Structural Information

Molecular Formula

C₁₈H₂₁OP

SMILES

C1CCC(CC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2

InChIKey

ICVUZKQDJNUMKC-UHFFFAOYSA-N

Compound name

[cyclohexyl(phenyl)phosphoryl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 157
Patents: 284.133 Da
Monoisotopic Mass: 4.3
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]+	285.14028	168.7
[M+Na]+	307.12222	171.6
[M-H]-	283.12572	175.5
[M+NH4]+	302.16682	183.6
[M+K]+	323.09616	167.1
[M+H-H2O]+	267.13026	157.6
[M+HCOO]-	329.13120	192.3
[M+CH3COO]-	343.14685	199.7
[M+Na-2H]-	305.10767	170.1
[M]+	284.13245	163.2
[M]-	284.13355	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe