CID 91908

55864-04-5

Structural Information

Molecular Formula

C₂₁H₂₁O₄P

SMILES

CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21O4P/c1-17(2)18-13-15-21(16-14-18)25-26(22,23-19-9-5-3-6-10-19)24-20-11-7-4-8-12-20/h3-17H,1-2H3

InChIKey

JUHFQCKQQLMGAB-UHFFFAOYSA-N

Compound name

diphenyl (4-propan-2-ylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 523
Patents: 368.11774 Da
Monoisotopic Mass: 5.7
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]+	369.12502	186.9
[M+Na]+	391.10696	201.3
[M+NH4]+	386.15156	194.1
[M+K]+	407.08090	193.8
[M-H]-	367.11046	192.3
[M+Na-2H]-	389.09241	197.5
[M]+	368.11719	190.6
[M]-	368.11829	190.6

Literature stripe

literature stripe

Patent stripe

patents stripe