CID 15733

Trioctyl phosphate

Structural Information

Molecular Formula
C24H51O4P
SMILES
CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC
InChI
InChI=1S/C24H51O4P/c1-4-7-10-13-16-19-22-26-29(25,27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
WVPGXJOLGGFBCR-UHFFFAOYSA-N
Compound name
trioctyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29690
Patents

434.3525 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.35978 217.7
[M+Na]+ 457.34172 222.3
[M-H]- 433.34522 203.6
[M+NH4]+ 452.38632 218.1
[M+K]+ 473.31566 218.7
[M+H-H2O]+ 417.34976 214.4
[M+HCOO]- 479.35070 233.0
[M+CH3COO]- 493.36635 235.3
[M+Na-2H]- 455.32717 203.0
[M]+ 434.35195 217.7
[M]- 434.35305 217.7
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