CID 44146549

1,3,2-dioxaphosphorinane, 2,2',2''-[(1-methyl-1-propanyl-3-ylidene)tris[[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene]oxy]]tris[5,5-dimethyl-

Structural Information

Molecular Formula
C52H79O9P3
SMILES
CC1=CC(=C(C=C1C(C)CC(C2=CC(=C(C=C2C)OP3OCC(CO3)(C)C)C(C)(C)C)C4=CC(=C(C=C4C)OP5OCC(CO5)(C)C)C(C)(C)C)C(C)(C)C)OP6OCC(CO6)(C)C
InChI
InChI=1S/C52H79O9P3/c1-33(37-24-41(47(5,6)7)44(21-34(37)2)59-62-53-27-50(14,15)28-54-62)20-40(38-25-42(48(8,9)10)45(22-35(38)3)60-63-55-29-51(16,17)30-56-63)39-26-43(49(11,12)13)46(23-36(39)4)61-64-57-31-52(18,19)32-58-64/h21-26,33,40H,20,27-32H2,1-19H3
InChIKey
XGBHLPMTAJPBOI-UHFFFAOYSA-N
Compound name
2-[4-[4,4-bis[5-tert-butyl-4-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-2-methylphenyl]butan-2-yl]-2-tert-butyl-5-methylphenoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

940.4937 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 941.50098 289.6
[M+Na]+ 963.48292 298.0
[M-H]- 939.48642 296.4
[M+NH4]+ 958.52752 294.5
[M+K]+ 979.45686 282.2
[M+H-H2O]+ 923.49096 283.7
[M+HCOO]- 985.49190 295.4
[M+CH3COO]- 999.50755 328.5
[M+Na-2H]- 961.46837 316.7
[M]+ 940.49315 306.3
[M]- 940.49425 306.3
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

No patent data available for this compound.