CID 10339007

Phenyl [4-(2-phenylpropan-2-yl)phenyl] hydrogen phosphate

Structural Information

Molecular Formula

C₂₁H₂₁O₄P

SMILES

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

InChI

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

InChIKey

WGQYWEHNEDRDIO-UHFFFAOYSA-N

Compound name

phenyl [4-(2-phenylpropan-2-yl)phenyl] hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.11774 Da
Monoisotopic Mass: 5.4
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]+	369.125016	189.6
[M+Na]+	391.106958	194.5
[M-H]-	367.110464	196.4
[M+NH4]+	386.151563	200.6
[M+K]+	407.080898	190.8
[M+H-H2O]+	351.115000	178.1
[M+HCOO]-	413.115941	213.8
[M+CH3COO]-	427.131591	212.9
[M+Na-2H]-	389.092406	192.9
[M]+	368.11719142	191.4
[M]-	368.11828858	191.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.