CID 92547

Diisooctyl phenyl phosphate

Structural Information

Molecular Formula
C22H39O4P
SMILES
CC(C)CCCCCOP(=O)(OCCCCCC(C)C)OC1=CC=CC=C1
InChI
InChI=1S/C22H39O4P/c1-20(2)14-8-6-12-18-24-27(23,26-22-16-10-5-11-17-22)25-19-13-7-9-15-21(3)4/h5,10-11,16-17,20-21H,6-9,12-15,18-19H2,1-4H3
InChIKey
NQOFUSUDAMVORD-UHFFFAOYSA-N
Compound name
bis(6-methylheptyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

398.2586 Da
Monoisotopic Mass

8.0
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

No literature data available for this compound.

Patent stripe

patents stripe