CID 172951

Einecs 276-294-1

Structural Information

Molecular Formula
C36H56O6P2
SMILES
CCCC(C1=CC(=C(C=C1C)OP2OCC(CO2)(C)C)C(C)(C)C)C3=CC(=C(C=C3C)OP4OCC(CO4)(C)C)C(C)(C)C
InChI
InChI=1S/C36H56O6P2/c1-14-15-26(27-18-29(33(4,5)6)31(16-24(27)2)41-43-37-20-35(10,11)21-38-43)28-19-30(34(7,8)9)32(17-25(28)3)42-44-39-22-36(12,13)23-40-44/h16-19,26H,14-15,20-23H2,1-13H3
InChIKey
YHFPAJFUHALXOH-UHFFFAOYSA-N
Compound name
2-[2-tert-butyl-4-[1-[5-tert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2-methylphenyl]butyl]-5-methylphenoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

646.3552 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.36248 271.7
[M+Na]+ 669.34442 273.0
[M-H]- 645.34792 282.3
[M+NH4]+ 664.38902 272.2
[M+K]+ 685.31836 277.4
[M+H-H2O]+ 629.35246 256.9
[M+HCOO]- 691.35340 285.0
[M+CH3COO]- 705.36905 277.2
[M+Na-2H]- 667.32987 263.2
[M]+ 646.35465 278.0
[M]- 646.35575 278.0
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

No patent data available for this compound.