CID 110970

2-ethylhexyl octyl phenyl phosphite

Structural Information

Molecular Formula

C₂₂H₃₉O₃P

SMILES

CCCCCCCCOP(OCC(CC)CCCC)OC1=CC=CC=C1

InChI

InChI=1S/C22H39O3P/c1-4-7-9-10-11-15-19-23-26(25-22-17-13-12-14-18-22)24-20-21(6-3)16-8-5-2/h12-14,17-18,21H,4-11,15-16,19-20H2,1-3H3

InChIKey

ZIXVBDFLJANKCD-UHFFFAOYSA-N

Compound name

2-ethylhexyl octyl phenyl phosphite

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 25
Patents: 382.26367 Da
Monoisotopic Mass: 8.4
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]+	383.270946	207.3
[M+Na]+	405.252888	207.8
[M-H]-	381.256394	207.0
[M+NH4]+	400.297493	219.2
[M+K]+	421.226828	205.0
[M+H-H2O]+	365.260930	196.0
[M+HCOO]-	427.261871	231.0
[M+CH3COO]-	441.277521	224.8
[M+Na-2H]-	403.238336	201.6
[M]+	382.26312142	216.3
[M]-	382.26421858	216.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe