CID 65577

Trioctylphosphine oxide

Structural Information

Molecular Formula
C24H51OP
SMILES
CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
ZMBHCYHQLYEYDV-UHFFFAOYSA-N
Compound name
1-dioctylphosphoryloctane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

247
References

22221
Patents

386.36777 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.37505 217.3
[M+Na]+ 409.35699 217.5
[M-H]- 385.36049 213.2
[M+NH4]+ 404.40159 208.7
[M+K]+ 425.33093 212.4
[M+H-H2O]+ 369.36503 207.6
[M+HCOO]- 431.36597 225.6
[M+CH3COO]- 445.38162 230.0
[M+Na-2H]- 407.34244 211.6
[M]+ 386.36722 227.5
[M]- 386.36832 227.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe