CID 3048264

63886-52-2

Structural Information

Molecular Formula

C₁₃H₁₉O₂P

SMILES

CCCCP(=O)(C1=CC=CC=C1)OCC=C

InChI

InChI=1S/C13H19O2P/c1-3-5-12-16(14,15-11-4-2)13-9-7-6-8-10-13/h4,6-10H,2-3,5,11-12H2,1H3

InChIKey

ULBHOITUKBGYDK-UHFFFAOYSA-N

Compound name

[butyl(prop-2-enoxy)phosphoryl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.11227 Da
Monoisotopic Mass: 2.9
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]+	239.11955	156.4
[M+Na]+	261.10149	167.6
[M+NH4]+	256.14609	163.5
[M+K]+	277.07543	160.7
[M-H]-	237.10499	157.1
[M+Na-2H]-	259.08694	162.0
[M]+	238.11172	158.1
[M]-	238.11282	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe