CID 201037

Bis(hydroxymethyl)phenylphosphine

Structural Information

Molecular Formula

C₈H₁₁O₂P

SMILES

C1=CC=C(C=C1)P(CO)CO

InChI

InChI=1S/C8H11O2P/c9-6-11(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

InChIKey

LJDGKIUMGVMSGI-UHFFFAOYSA-N

Compound name

[hydroxymethyl(phenyl)phosphanyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 56
Patents: 170.04967 Da
Monoisotopic Mass: 0.3
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]+	171.05695	139.1
[M+Na]+	193.03889	145.2
[M-H]-	169.04239	138.7
[M+NH4]+	188.08349	158.5
[M+K]+	209.01283	143.0
[M+H-H2O]+	153.04693	131.5
[M+HCOO]-	215.04787	165.5
[M+CH3COO]-	229.06352	174.9
[M+Na-2H]-	191.02434	141.3
[M]+	170.04912	138.5
[M]-	170.05022	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe