CID 6530

Tris(4-tert-butylphenyl) phosphate

Structural Information

Molecular Formula
C30H39O4P
SMILES
CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
InChIKey
LORSVOJSXMHDHF-UHFFFAOYSA-N
Compound name
tris(4-tert-butylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1135
Patents

494.2586 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.26588 227.5
[M+Na]+ 517.24782 231.4
[M-H]- 493.25132 235.4
[M+NH4]+ 512.29242 235.0
[M+K]+ 533.22176 228.8
[M+H-H2O]+ 477.25586 215.4
[M+HCOO]- 539.25680 246.7
[M+CH3COO]- 553.27245 243.0
[M+Na-2H]- 515.23327 228.7
[M]+ 494.25805 233.6
[M]- 494.25915 233.6
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