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

1410
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

literature stripe

Patent stripe

patents stripe