CID 6335888

Diisooctyl phosphonate

Structural Information

Molecular Formula
C16H34O3P
SMILES
CC(C)CCCCCO[P+](=O)OCCCCCC(C)C
InChI
InChI=1S/C16H34O3P/c1-15(2)11-7-5-9-13-18-20(17)19-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3/q+1
InChIKey
DBLFQTDPPZZDGX-UHFFFAOYSA-N
Compound name
bis(6-methylheptoxy)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

73
Patents

305.22455 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.231826 186.7
[M+Na]+ 328.213768 189.1
[M-H]- 304.217274 184.5
[M+NH4]+ 323.258373 191.6
[M+K]+ 344.187708 182.8
[M+H-H2O]+ 288.221810 180.8
[M+HCOO]- 350.222751 202.6
[M+CH3COO]- 364.238401 204.7
[M+Na-2H]- 326.199216 183.5
[M]+ 305.22400142 193.8
[M]- 305.22509858 193.8
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