CID 150268893

Schembl27608448

Structural Information

Molecular Formula

C₁₄H₁₅O₂P

SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C(CO)O

InChI

InChI=1S/C14H15O2P/c15-11-14(16)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-16H,11H2

InChIKey

GDDJXYMHTZQWDW-UHFFFAOYSA-N

Compound name

1-diphenylphosphanylethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 246.08096 Da
Monoisotopic Mass: 1.8
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]+	247.088236	159.2
[M+Na]+	269.070178	163.5
[M-H]-	245.073684	161.4
[M+NH4]+	264.114783	174.8
[M+K]+	285.044118	159.8
[M+H-H2O]+	229.078220	149.8
[M+HCOO]-	291.079161	183.9
[M+CH3COO]-	305.094811	189.7
[M+Na-2H]-	267.055626	159.3
[M]+	246.08041142	157.2
[M]-	246.08150858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe