CID 20651923

Fzl7q2jt4e

Structural Information

Molecular Formula
C68H92O4P2
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(C2=CC=C(C=C2)C3=CC(=CC=C3)P(OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)OC6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C68H92O4P2/c1-61(2,3)47-30-36-57(53(41-47)65(13,14)15)69-73(70-58-37-31-48(62(4,5)6)42-54(58)66(16,17)18)51-34-28-45(29-35-51)46-26-25-27-52(40-46)74(71-59-38-32-49(63(7,8)9)43-55(59)67(19,20)21)72-60-39-33-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3
InChIKey
XTFOCTHEHOLWKC-UHFFFAOYSA-N
Compound name
[3-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1095
Patents

1034.6471 Da
Monoisotopic Mass

23.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1035.6544 317.5
[M+Na]+ 1057.6363 320.2
[M+NH4]+ 1052.6809 323.9
[M+K]+ 1073.6103 320.7
[M-H]- 1033.6398 318.7
[M+Na-2H]- 1055.6218 310.0
[M]+ 1034.6466 320.1
[M]- 1034.6476 320.1
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

patents stripe