CID 23423070

3-(dimethylphosphoryl)phenol

Structural Information

Molecular Formula

C₈H₁₁O₂P

SMILES

CP(=O)(C)C1=CC=CC(=C1)O

InChI

InChI=1S/C8H11O2P/c1-11(2,10)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3

InChIKey

OWXLRRUSCZTSCJ-UHFFFAOYSA-N

Compound name

3-dimethylphosphorylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.04967 Da
Monoisotopic Mass: 0.6
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]+	171.056946	136.4
[M+Na]+	193.038888	144.9
[M-H]-	169.042394	138.1
[M+NH4]+	188.083493	157.0
[M+K]+	209.012828	143.0
[M+H-H2O]+	153.046930	129.5
[M+HCOO]-	215.047871	163.9
[M+CH3COO]-	229.063521	177.2
[M+Na-2H]-	191.024336	140.6
[M]+	170.04912142	137.6
[M]-	170.05021858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe