CID 89363

20641-28-5

Structural Information

Molecular Formula

C₁₁H₁₆ClO₄P

SMILES

CCOP(=O)(C(C1=CC=C(C=C1)Cl)O)OCC

InChI

InChI=1S/C11H16ClO4P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3

InChIKey

RIQJHXWKWXDLFM-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-diethoxyphosphorylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 278.0475 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]+	279.05478	159.7
[M+Na]+	301.03672	167.4
[M-H]-	277.04022	161.1
[M+NH4]+	296.08132	176.8
[M+K]+	317.01066	164.4
[M+H-H2O]+	261.04476	152.7
[M+HCOO]-	323.04570	181.4
[M+CH3COO]-	337.06135	195.1
[M+Na-2H]-	299.02217	161.5
[M]+	278.04695	166.4
[M]-	278.04805	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe