CID 4156748

98674-80-7

Structural Information

Molecular Formula

C₁₁H₁₅O₄P

SMILES

CC1(COP(=O)(OC1C2=CC=CC=C2)O)C

InChI

InChI=1S/C11H15O4P/c1-11(2)8-14-16(12,13)15-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13)

InChIKey

PSZSDCWNBXVDFG-UHFFFAOYSA-N

Compound name

2-hydroxy-5,5-dimethyl-4-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 267
Patents: 242.0708 Da
Monoisotopic Mass: 1.5
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]+	243.078076	152.4
[M+Na]+	265.060018	160.3
[M-H]-	241.063524	158.4
[M+NH4]+	260.104623	171.1
[M+K]+	281.033958	161.2
[M+H-H2O]+	225.068060	144.7
[M+HCOO]-	287.069001	176.2
[M+CH3COO]-	301.084651	187.8
[M+Na-2H]-	263.045466	157.6
[M]+	242.07025142	153.4
[M]-	242.07134858	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe