CID 91700

Tris[4-(2-methylpropyl)phenyl] phosphate

Structural Information

Molecular Formula
C30H39O4P
SMILES
CC(C)CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)CC(C)C)OC3=CC=C(C=C3)CC(C)C
InChI
InChI=1S/C30H39O4P/c1-22(2)19-25-7-13-28(14-8-25)32-35(31,33-29-15-9-26(10-16-29)20-23(3)4)34-30-17-11-27(12-18-30)21-24(5)6/h7-18,22-24H,19-21H2,1-6H3
InChIKey
LWYPBQJBRGDLOI-UHFFFAOYSA-N
Compound name
tris[4-(2-methylpropyl)phenyl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

494.2586 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.26588 228.4
[M+Na]+ 517.24782 230.0
[M-H]- 493.25132 235.3
[M+NH4]+ 512.29242 235.0
[M+K]+ 533.22176 226.8
[M+H-H2O]+ 477.25586 215.0
[M+HCOO]- 539.25680 249.4
[M+CH3COO]- 553.27245 245.7
[M+Na-2H]- 515.23327 221.6
[M]+ 494.25805 234.5
[M]- 494.25915 234.5
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