CID 109517

Diisooctyl p-octylphenyl phosphite

Structural Information

Molecular Formula
C30H55O3P
SMILES
CCCCCCCCC1=CC=C(C=C1)P(=O)(OCCCCCC(C)C)OCCCCCC(C)C
InChI
InChI=1S/C30H55O3P/c1-6-7-8-9-10-15-20-29-21-23-30(24-22-29)34(31,32-25-16-11-13-18-27(2)3)33-26-17-12-14-19-28(4)5/h21-24,27-28H,6-20,25-26H2,1-5H3
InChIKey
HPLQLQQLRLADHV-UHFFFAOYSA-N
Compound name
1-[bis(6-methylheptoxy)phosphoryl]-4-octylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

494.3889 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.39618 242.2
[M+Na]+ 517.37812 240.9
[M-H]- 493.38162 241.0
[M+NH4]+ 512.42272 219.8
[M+K]+ 533.35206 236.3
[M+H-H2O]+ 477.38616 230.5
[M+HCOO]- 539.38710 230.9
[M+CH3COO]- 553.40275 248.9
[M+Na-2H]- 515.36357 233.0
[M]+ 494.38835 253.3
[M]- 494.38945 253.3
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