CID 165360482

Dtxsid401339020

Structural Information

Molecular Formula
C32H43O4P
SMILES
CC(C)C1=CC(=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)C
InChI
InChI=1S/C32H43O4P/c1-22(2)24-16-17-30(29(18-24)23(3)4)36-37(33,34-27-14-12-11-13-15-27)35-28-20-25(31(5,6)7)19-26(21-28)32(8,9)10/h11-23H,1-10H3
InChIKey
XPJCSQVOIPFBCE-UHFFFAOYSA-N
Compound name
(3,5-ditert-butylphenyl) [2,4-di(propan-2-yl)phenyl] phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.2899 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.29718 233.8
[M+Na]+ 545.27912 236.6
[M-H]- 521.28262 241.5
[M+NH4]+ 540.32372 240.1
[M+K]+ 561.25306 234.3
[M+H-H2O]+ 505.28716 221.5
[M+HCOO]- 567.28810 252.0
[M+CH3COO]- 581.30375 251.6
[M+Na-2H]- 543.26457 229.9
[M]+ 522.28935 240.5
[M]- 522.29045 240.5
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.