CID 85990

Bis(2-ethylhexyl) phenyl phosphate

Structural Information

Molecular Formula
C22H39O4P
SMILES
CCCCC(CC)COP(=O)(OCC(CC)CCCC)OC1=CC=CC=C1
InChI
InChI=1S/C22H39O4P/c1-5-9-14-20(7-3)18-24-27(23,26-22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3
InChIKey
ZXZYMQCBRZBVIC-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3162
Patents

398.2586 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26588 208.7
[M+Na]+ 421.24782 209.8
[M-H]- 397.25132 208.7
[M+NH4]+ 416.29242 220.0
[M+K]+ 437.22176 207.6
[M+H-H2O]+ 381.25586 198.0
[M+HCOO]- 443.25680 231.3
[M+CH3COO]- 457.27245 226.3
[M+Na-2H]- 419.23327 204.5
[M]+ 398.25805 218.0
[M]- 398.25915 218.0
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