CID 108933

Einecs 262-206-9

Structural Information

Molecular Formula
C42H55O5P
SMILES
CCCCCCCCCCCCOP(OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)O)OC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)O
InChI
InChI=1S/C42H55O5P/c1-6-7-8-9-10-11-12-13-14-15-32-45-48(46-39-28-20-35(21-29-39)41(2,3)33-16-24-37(43)25-17-33)47-40-30-22-36(23-31-40)42(4,5)34-18-26-38(44)27-19-34/h16-31,43-44H,6-15,32H2,1-5H3
InChIKey
LUIHRDSKVKNQKL-UHFFFAOYSA-N
Compound name
dodecyl bis[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

670.3787 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 671.38598 278.2
[M+Na]+ 693.36792 275.1
[M-H]- 669.37142 283.6
[M+NH4]+ 688.41252 275.3
[M+K]+ 709.34186 269.7
[M+H-H2O]+ 653.37596 261.7
[M+HCOO]- 715.37690 292.8
[M+CH3COO]- 729.39255 273.5
[M+Na-2H]- 691.35337 269.9
[M]+ 670.37815 283.7
[M]- 670.37925 283.7
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

No patent data available for this compound.