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

385
Patents

438.19598 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.203256 211.8
[M+Na]+ 461.185198 216.3
[M-H]- 437.188704 219.8
[M+NH4]+ 456.229803 221.2
[M+K]+ 477.159138 213.4
[M+H-H2O]+ 421.193240 199.7
[M+HCOO]- 483.194181 234.1
[M+CH3COO]- 497.209831 230.4
[M+Na-2H]- 459.170646 213.8
[M]+ 438.19543142 216.8
[M]- 438.19652858 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

literature stripe

Patent stripe

patents stripe