CID 5743861

Dodecyl bis(4-nonylphenyl) phosphite

Structural Information

Molecular Formula
C42H71O3P
SMILES
CCCCCCCCCCCCOP(OC1=CC=C(C=C1)CCCCCCCCC)OC2=CC=C(C=C2)CCCCCCCCC
InChI
InChI=1S/C42H71O3P/c1-4-7-10-13-16-17-18-21-24-27-38-43-46(44-41-34-30-39(31-35-41)28-25-22-19-14-11-8-5-2)45-42-36-32-40(33-37-42)29-26-23-20-15-12-9-6-3/h30-37H,4-29,38H2,1-3H3
InChIKey
YWOPISHOKCSBRA-UHFFFAOYSA-N
Compound name
dodecyl bis(4-nonylphenyl) phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

654.5141 Da
Monoisotopic Mass

18.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.52138 287.6
[M+Na]+ 677.50332 282.1
[M-H]- 653.50682 287.1
[M+NH4]+ 672.54792 246.3
[M+K]+ 693.47726 274.0
[M+H-H2O]+ 637.51136 271.4
[M+HCOO]- 699.51230 262.5
[M+CH3COO]- 713.52795 278.9
[M+Na-2H]- 675.48877 273.5
[M]+ 654.51355 301.3
[M]- 654.51465 301.3
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