CID 3034371

Tris(tert-butylphenyl) phosphate

Structural Information

Molecular Formula
C30H39O4P
SMILES
CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C(C)(C)C)OC3=CC=CC=C3C(C)(C)C
InChI
InChI=1S/C30H39O4P/c1-28(2,3)22-16-10-13-19-25(22)32-35(31,33-26-20-14-11-17-23(26)29(4,5)6)34-27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3
InChIKey
SPUXJWDKFVXXBI-UHFFFAOYSA-N
Compound name
tris(2-tert-butylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1683
Patents

494.2586 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.26588 223.6
[M+Na]+ 517.24782 235.8
[M+NH4]+ 512.29242 228.7
[M+K]+ 533.22176 230.0
[M-H]- 493.25132 227.2
[M+Na-2H]- 515.23327 231.9
[M]+ 494.25805 226.8
[M]- 494.25915 226.8
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

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