CID 53160

75023-58-4

Structural Information

Molecular Formula

C₁₂H₁₇O₃P

SMILES

CC1OC(P(=O)(C(O1)C)C2=CC=CC=C2)C

InChI

InChI=1S/C12H17O3P/c1-9-14-10(2)16(13,11(3)15-9)12-7-5-4-6-8-12/h4-11H,1-3H3

InChIKey

IBJXJZBNSLCQQQ-UHFFFAOYSA-N

Compound name

2,4,6-trimethyl-5-phenyl-1,3,5lambda5-dioxaphosphinane 5-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.09154 Da
Monoisotopic Mass: 2.0
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]+	241.098816	154.3
[M+Na]+	263.080758	162.3
[M-H]-	239.084264	161.4
[M+NH4]+	258.125363	172.1
[M+K]+	279.054698	162.8
[M+H-H2O]+	223.088800	145.8
[M+HCOO]-	285.089741	179.1
[M+CH3COO]-	299.105391	192.6
[M+Na-2H]-	261.066206	157.2
[M]+	240.09099142	155.9
[M]-	240.09208858	155.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.