CID 91684

63340-28-3

Structural Information

Molecular Formula
C36H43O4P
SMILES
CCCCCCCCCC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4
InChI
InChI=1S/C36H43O4P/c1-4-5-6-7-8-9-12-17-30-22-26-34(27-23-30)39-41(37,38-33-20-15-11-16-21-33)40-35-28-24-32(25-29-35)36(2,3)31-18-13-10-14-19-31/h10-11,13-16,18-29H,4-9,12,17H2,1-3H3
InChIKey
ZVHRVMIVTOBKHR-UHFFFAOYSA-N
Compound name
(4-nonylphenyl) phenyl [4-(2-phenylpropan-2-yl)phenyl] phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

570.2899 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.29718 248.0
[M+Na]+ 593.27912 262.2
[M+NH4]+ 588.32372 253.5
[M+K]+ 609.25306 251.4
[M-H]- 569.28262 255.2
[M+Na-2H]- 591.26457 258.5
[M]+ 570.28935 252.4
[M]- 570.29045 252.4
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