CID 3085969

P,p-bis(octylphenyl) diphosphate

Structural Information

Molecular Formula
C28H44O7P2
SMILES
CCCCCCCCC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)CCCCCCCC)OP(=O)(O)O
InChI
InChI=1S/C28H44O7P2/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)33-37(32,35-36(29,30)31)34-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3,(H2,29,30,31)
InChIKey
BJAGJBULYHVWTJ-UHFFFAOYSA-N
Compound name
bis(4-octylphenyl) phosphono phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

554.2562 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.26348 237.0
[M+Na]+ 577.24542 243.7
[M+NH4]+ 572.29002 227.3
[M+K]+ 593.21936 238.3
[M-H]- 553.24892 235.5
[M+Na-2H]- 575.23087 238.2
[M]+ 554.25565 237.1
[M]- 554.25675 237.1
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