CID 22672285

178358-58-2

Structural Information

Molecular Formula
C72H100O4P2
SMILES
CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)OP(C2=CC=CC(=C2P(OC3=C(C=C(C(=C3)C)C(C)(C)C)C(C)(C)C)OC4=C(C=C(C(=C4)C)C(C)(C)C)C(C)(C)C)C5=CC=CC=C5)OC6=C(C=C(C(=C6)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C72H100O4P2/c1-45-37-59(55(69(17,18)19)41-51(45)65(5,6)7)73-77(74-60-38-46(2)52(66(8,9)10)42-56(60)70(20,21)22)63-36-32-35-50(49-33-30-29-31-34-49)64(63)78(75-61-39-47(3)53(67(11,12)13)43-57(61)71(23,24)25)76-62-40-48(4)54(68(14,15)16)44-58(62)72(26,27)28/h29-44H,1-28H3
InChIKey
XMKVUPOWKZQBDQ-UHFFFAOYSA-N
Compound name
[2-bis(2,4-ditert-butyl-5-methylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,4-ditert-butyl-5-methylphenoxy)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

1090.7097 Da
Monoisotopic Mass

25.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1091.7170 336.3
[M+Na]+ 1113.6989 330.0
[M-H]- 1089.7024 347.3
[M+NH4]+ 1108.7435 290.7
[M+K]+ 1129.6729 334.9
[M+H-H2O]+ 1073.7070 315.6
[M+HCOO]- 1135.7079 304.3
[M+CH3COO]- 1149.7236 350.9
[M+Na-2H]- 1111.6844 328.5
[M]+ 1090.7092 344.2
[M]- 1090.7102 344.2
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