CID 155700

72102-70-6

Structural Information

Molecular Formula
C35H49O2P
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)OP(C2=CC=CC=C2)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C35H49O2P/c1-24-21-28(34(8,9)10)31(29(22-24)35(11,12)13)37-38(26-17-15-14-16-18-26)36-30-20-19-25(32(2,3)4)23-27(30)33(5,6)7/h14-23H,1-13H3
InChIKey
FKIFKORKHPBUAI-UHFFFAOYSA-N
Compound name
(2,6-ditert-butyl-4-methylphenoxy)-(2,4-ditert-butylphenoxy)-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

532.34705 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.35433 239.9
[M+Na]+ 555.33627 243.3
[M-H]- 531.33977 247.8
[M+NH4]+ 550.38087 246.7
[M+K]+ 571.31021 239.8
[M+H-H2O]+ 515.34431 228.1
[M+HCOO]- 577.34525 256.0
[M+CH3COO]- 591.36090 256.6
[M+Na-2H]- 553.32172 236.1
[M]+ 532.34650 245.9
[M]- 532.34760 245.9
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

patents stripe