CID 66997

Bis(p-tert-butylphenyl) phenyl phosphate

Structural Information

Molecular Formula
C26H31O4P
SMILES
CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C26H31O4P/c1-25(2,3)20-12-16-23(17-13-20)29-31(27,28-22-10-8-7-9-11-22)30-24-18-14-21(15-19-24)26(4,5)6/h7-19H,1-6H3
InChIKey
PDLPMCXGPIVYQQ-UHFFFAOYSA-N
Compound name
bis(4-tert-butylphenyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

438.19598 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20326 211.8
[M+Na]+ 461.18520 216.3
[M-H]- 437.18870 219.8
[M+NH4]+ 456.22980 221.2
[M+K]+ 477.15914 213.4
[M+H-H2O]+ 421.19324 199.7
[M+HCOO]- 483.19418 234.1
[M+CH3COO]- 497.20983 230.4
[M+Na-2H]- 459.17065 213.8
[M]+ 438.19543 216.8
[M]- 438.19653 216.8
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.