CID 6335659

Phosphonic acid, isodecyl phenyl ester

Structural Information

Molecular Formula
C16H26O3P
SMILES
CC(C)CCCCCCCO[P+](=O)OC1=CC=CC=C1
InChI
InChI=1S/C16H26O3P/c1-15(2)11-7-4-3-5-10-14-18-20(17)19-16-12-8-6-9-13-16/h6,8-9,12-13,15H,3-5,7,10-11,14H2,1-2H3/q+1
InChIKey
UTHJXPXXTSTCSJ-UHFFFAOYSA-N
Compound name
8-methylnonoxy-oxo-phenoxyphosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

297.16196 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16924 179.1
[M+Na]+ 320.15118 182.6
[M-H]- 296.15468 180.5
[M+NH4]+ 315.19578 194.4
[M+K]+ 336.12512 175.2
[M+H-H2O]+ 280.15922 172.1
[M+HCOO]- 342.16016 204.9
[M+CH3COO]- 356.17581 199.3
[M+Na-2H]- 318.13663 179.4
[M]+ 297.16141 184.0
[M]- 297.16251 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.