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
1
Annotation Hits

0
References

20
Patents

542.24335 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.25063 234.8
[M+Na]+ 565.23257 238.5
[M-H]- 541.23607 239.6
[M+NH4]+ 560.27717 238.5
[M+K]+ 581.20651 237.4
[M+H-H2O]+ 525.24061 223.6
[M+HCOO]- 587.24155 249.7
[M+CH3COO]- 601.25720 246.9
[M+Na-2H]- 563.21802 234.7
[M]+ 542.24280 240.7
[M]- 542.24390 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