CID 4228208

Diisopropyl phenylphosphonate

Structural Information

Molecular Formula

C₁₂H₁₉O₃P

SMILES

CC(C)OP(=O)(C1=CC=CC=C1)OC(C)C

InChI

InChI=1S/C12H19O3P/c1-10(2)14-16(13,15-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3

InChIKey

CTLLAZAHTUAAGH-UHFFFAOYSA-N

Compound name

di(propan-2-yloxy)phosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 242.10718 Da
Monoisotopic Mass: 2.6
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]+	243.11446	157.9
[M+Na]+	265.09640	163.6
[M-H]-	241.09990	160.1
[M+NH4]+	260.14100	175.8
[M+K]+	281.07034	163.2
[M+H-H2O]+	225.10444	149.6
[M+HCOO]-	287.10538	183.9
[M+CH3COO]-	301.12103	194.6
[M+Na-2H]-	263.08185	158.9
[M]+	242.10663	162.3
[M]-	242.10773	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe