CID 88826

Tris(3-tert-butyl-4-hydroxyphenyl) phosphate

Structural Information

Molecular Formula
C30H39O7P
SMILES
CC(C)(C)C1=C(C=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)O)C(C)(C)C)OC3=CC(=C(C=C3)O)C(C)(C)C)O
InChI
InChI=1S/C30H39O7P/c1-28(2,3)22-16-19(10-13-25(22)31)35-38(34,36-20-11-14-26(32)23(17-20)29(4,5)6)37-21-12-15-27(33)24(18-21)30(7,8)9/h10-18,31-33H,1-9H3
InChIKey
KNZZERRHIZAXIQ-UHFFFAOYSA-N
Compound name
tris(3-tert-butyl-4-hydroxyphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

542.24335 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.250626 234.8
[M+Na]+ 565.232568 238.5
[M-H]- 541.236074 239.6
[M+NH4]+ 560.277173 238.5
[M+K]+ 581.206508 237.4
[M+H-H2O]+ 525.240610 223.6
[M+HCOO]- 587.241551 249.7
[M+CH3COO]- 601.257201 246.9
[M+Na-2H]- 563.218016 234.7
[M]+ 542.24280142 240.7
[M]- 542.24389858 240.7
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