CID 74189

Dibenzyl phosphate

Structural Information

Molecular Formula

C₁₄H₁₅O₄P

SMILES

C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)

InChIKey

HDFFVHSMHLDSLO-UHFFFAOYSA-N

Compound name

dibenzyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 5011
Patents: 278.0708 Da
Monoisotopic Mass: 2.0
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]+	279.07808	163.6
[M+Na]+	301.06002	169.4
[M-H]-	277.06352	167.4
[M+NH4]+	296.10462	178.7
[M+K]+	317.03396	166.7
[M+H-H2O]+	261.06806	153.7
[M+HCOO]-	323.06900	190.8
[M+CH3COO]-	337.08465	194.2
[M+Na-2H]-	299.04547	167.9
[M]+	278.07025	166.3
[M]-	278.07135	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe