CID 298723

Diisopropyl phenylphosphonite

Structural Information

Molecular Formula

C₁₂H₁₉O₂P

SMILES

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

InChI

InChI=1S/C12H19O2P/c1-10(2)13-15(14-11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3

InChIKey

LDNCAOOMUMJYTN-UHFFFAOYSA-N

Compound name

phenyl-di(propan-2-yloxy)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 226.11227 Da
Monoisotopic Mass: 3.2
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]+	227.11955	156.7
[M+Na]+	249.10149	161.5
[M-H]-	225.10499	158.6
[M+NH4]+	244.14609	175.2
[M+K]+	265.07543	161.2
[M+H-H2O]+	209.10953	148.0
[M+HCOO]-	271.11047	182.8
[M+CH3COO]-	285.12612	194.0
[M+Na-2H]-	247.08694	155.3
[M]+	226.11172	160.2
[M]-	226.11282	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe