CID 5743440

Didodecyl nonylphenyl phosphite

Structural Information

Molecular Formula
C39H73O3P
SMILES
CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OC1=CC=CC=C1CCCCCCCCC
InChI
InChI=1S/C39H73O3P/c1-4-7-10-13-16-18-20-23-26-31-36-40-43(41-37-32-27-24-21-19-17-14-11-8-5-2)42-39-35-30-29-34-38(39)33-28-25-22-15-12-9-6-3/h29-30,34-35H,4-28,31-33,36-37H2,1-3H3
InChIKey
XRZOGOFWWKOYPJ-UHFFFAOYSA-N
Compound name
didodecyl (2-nonylphenyl) phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

620.5297 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.53698 254.9
[M+Na]+ 643.51892 260.1
[M-H]- 619.52242 234.6
[M+NH4]+ 638.56352 254.6
[M+K]+ 659.49286 258.6
[M+H-H2O]+ 603.52696 249.2
[M+HCOO]- 665.52790 266.5
[M+CH3COO]- 679.54355 273.7
[M+Na-2H]- 641.50437 236.2
[M]+ 620.52915 253.0
[M]- 620.53025 253.0
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