CID 44144947

71519-97-6

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 278.8
[M+Na]+ 1017.6261 281.3
[M+NH4]+ 1012.6707 279.5
[M+K]+ 1033.6001 283.9
[M-H]- 993.62962 277.0
[M+Na-2H]- 1015.6116 285.1
[M]+ 994.63635 278.4
[M]- 994.63745 278.4
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.