CID 6335330

Phosphonic acid, decyl phenyl ester

Structural Information

Molecular Formula
C16H26O3P
SMILES
CCCCCCCCCCO[P+](=O)OC1=CC=CC=C1
InChI
InChI=1S/C16H26O3P/c1-2-3-4-5-6-7-8-12-15-18-20(17)19-16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3/q+1
InChIKey
CUWQAYAUSITMNO-UHFFFAOYSA-N
Compound name
decoxy-oxo-phenoxyphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

297.16196 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16924 179.0
[M+Na]+ 320.15118 182.7
[M-H]- 296.15468 180.2
[M+NH4]+ 315.19578 194.3
[M+K]+ 336.12512 174.8
[M+H-H2O]+ 280.15922 171.8
[M+HCOO]- 342.16016 205.7
[M+CH3COO]- 356.17581 198.6
[M+Na-2H]- 318.13663 180.4
[M]+ 297.16141 184.5
[M]- 297.16251 184.5
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

patents stripe