CID 44144947

Dibenzo(d,f)(1,3,2)dioxaphosphepin, 6,6'-(1,6-hexanediylbis(oxy))bis(2,4,8,10-tetrakis(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C62H92O6P2
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C2C=C(C=C3C(C)(C)C)C(C)(C)C)OCCCCCCOP4OC5=C(C=C(C=C5C(C)(C)C)C(C)(C)C)C6=C(O4)C(=CC(=C6)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C62H92O6P2/c1-55(2,3)39-31-43-44-32-40(56(4,5)6)36-48(60(16,17)18)52(44)66-69(65-51(43)47(35-39)59(13,14)15)63-29-27-25-26-28-30-64-70-67-53-45(33-41(57(7,8)9)37-49(53)61(19,20)21)46-34-42(58(10,11)12)38-50(54(46)68-70)62(22,23)24/h31-38H,25-30H2,1-24H3
InChIKey
BFSWPBIVGWSJTK-UHFFFAOYSA-N
Compound name
2,4,8,10-tetratert-butyl-6-[6-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyhexoxy]benzo[d][1,3,2]benzodioxaphosphepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

994.6369 Da
Monoisotopic Mass

21.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 995.64418 338.4
[M+Na]+ 1017.6261 341.6
[M-H]- 993.62962 348.7
[M+NH4]+ 1012.6707 331.5
[M+K]+ 1033.6001 353.0
[M+H-H2O]+ 977.63416 329.5
[M+HCOO]- 1039.6351 342.1
[M+CH3COO]- 1053.6508 315.4
[M+Na-2H]- 1015.6116 295.5
[M]+ 994.63635 348.9
[M]- 994.63745 348.9
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.