CID 8291

Diphenyl methyl phosphate

Structural Information

Molecular Formula

C₁₃H₁₃O₄P

SMILES

COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3

InChIKey

VOWPVJACXJNHBC-UHFFFAOYSA-N

Compound name

methyl diphenyl phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1216
Patents: 264.05515 Da
Monoisotopic Mass: 3.0
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]+	265.06243	158.2
[M+Na]+	287.04437	164.9
[M-H]-	263.04787	163.6
[M+NH4]+	282.08897	174.6
[M+K]+	303.01831	163.4
[M+H-H2O]+	247.05241	148.3
[M+HCOO]-	309.05335	187.3
[M+CH3COO]-	323.06900	193.8
[M+Na-2H]-	285.02982	163.5
[M]+	264.05460	162.5
[M]-	264.05570	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe