CID 21125097

2-[5-tert-butyl-4-[1-[2-tert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5-methylphenyl]butyl]-2-methylphenoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane

Structural Information

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

2D Structure

compound 2d structure
1
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]+ 647.362476 271.7
[M+Na]+ 669.344418 273.0
[M-H]- 645.347924 282.3
[M+NH4]+ 664.389023 272.2
[M+K]+ 685.318358 277.4
[M+H-H2O]+ 629.352460 256.9
[M+HCOO]- 691.353401 285.0
[M+CH3COO]- 705.369051 277.2
[M+Na-2H]- 667.329866 263.2
[M]+ 646.35465142 278.0
[M]- 646.35574858 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.