CID 102943

Bis(2-ethylhexyl) phenylphosphonate

Structural Information

Molecular Formula

C₂₂H₃₉O₃P

SMILES

CCCCC(CC)COP(=O)(C1=CC=CC=C1)OCC(CC)CCCC

InChI

InChI=1S/C22H39O3P/c1-5-9-14-20(7-3)18-24-26(23,22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3

InChIKey

POYAQWAYIGGXOL-UHFFFAOYSA-N

Compound name

bis(2-ethylhexoxy)phosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 111
Patents: 382.26367 Da
Monoisotopic Mass: 7.3
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]+	383.270946	206.1
[M+Na]+	405.252888	207.4
[M-H]-	381.256394	206.2
[M+NH4]+	400.297493	218.2
[M+K]+	421.226828	204.5
[M+H-H2O]+	365.260930	195.6
[M+HCOO]-	427.261871	228.5
[M+CH3COO]-	441.277521	224.4
[M+Na-2H]-	403.238336	201.6
[M]+	382.26312142	214.0
[M]-	382.26421858	214.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe