CID 102943

Bis(2-ethylhexyl) phenylphosphonate

Structural Information

Molecular Formula
C22H39O3P
SMILES
CCCCC(CC)COP(=O)(C1=CC=CC=C1)OCC(CC)CCCC
InChI
InChI=1S/C22H39O3P/c1-5-9-14-20(7-3)18-24-26(23,22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3
InChIKey
POYAQWAYIGGXOL-UHFFFAOYSA-N
Compound name
bis(2-ethylhexoxy)phosphorylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

108
Patents

382.26367 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.27095 206.1
[M+Na]+ 405.25289 207.4
[M-H]- 381.25639 206.2
[M+NH4]+ 400.29749 218.2
[M+K]+ 421.22683 204.5
[M+H-H2O]+ 365.26093 195.6
[M+HCOO]- 427.26187 228.5
[M+CH3COO]- 441.27752 224.4
[M+Na-2H]- 403.23834 201.6
[M]+ 382.26312 214.0
[M]- 382.26422 214.0
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