CID 19741866

Tris(2,5-di-tert-butylphenyl) phosphate

Structural Information

Molecular Formula
C42H63O4P
SMILES
CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)OP(=O)(OC2=C(C=CC(=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C42H63O4P/c1-37(2,3)28-19-22-31(40(10,11)12)34(25-28)44-47(43,45-35-26-29(38(4,5)6)20-23-32(35)41(13,14)15)46-36-27-30(39(7,8)9)21-24-33(36)42(16,17)18/h19-27H,1-18H3
InChIKey
ABZKABVFEBSHLR-UHFFFAOYSA-N
Compound name
tris(2,5-ditert-butylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

662.4464 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.453676 262.3
[M+Na]+ 685.435618 264.2
[M-H]- 661.439124 269.9
[M+NH4]+ 680.480223 264.3
[M+K]+ 701.409558 263.7
[M+H-H2O]+ 645.443660 250.8
[M+HCOO]- 707.444601 272.6
[M+CH3COO]- 721.460251 279.0
[M+Na-2H]- 683.421066 263.8
[M]+ 662.44585142 271.4
[M]- 662.44694858 271.4
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