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: 48
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]+	171.056946	139.1
[M+Na]+	193.038888	145.2
[M-H]-	169.042394	138.7
[M+NH4]+	188.083493	158.5
[M+K]+	209.012828	143.0
[M+H-H2O]+	153.046930	131.5
[M+HCOO]-	215.047871	165.5
[M+CH3COO]-	229.063521	174.9
[M+Na-2H]-	191.024336	141.3
[M]+	170.04912142	138.5
[M]-	170.05021858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe