CID 15641

Dioctyl phenylphosphonate

Structural Information

Molecular Formula
C22H39O3P
SMILES
CCCCCCCCOP(=O)(C1=CC=CC=C1)OCCCCCCCC
InChI
InChI=1S/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
InChIKey
HAKMAMKAFTZXOZ-UHFFFAOYSA-N
Compound name
dioctoxyphosphorylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

1549
Patents

382.26367 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.27095 205.8
[M+Na]+ 405.25289 207.5
[M-H]- 381.25639 205.6
[M+NH4]+ 400.29749 218.0
[M+K]+ 421.22683 203.6
[M+H-H2O]+ 365.26093 194.9
[M+HCOO]- 427.26187 230.2
[M+CH3COO]- 441.27752 223.0
[M+Na-2H]- 403.23834 203.7
[M]+ 382.26312 214.9
[M]- 382.26422 214.9
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.