CID 14572930

95906-11-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5228
Patents

662.4464 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.45368 268.5
[M+Na]+ 685.43562 273.3
[M+NH4]+ 680.48022 276.6
[M+K]+ 701.40956 276.9
[M-H]- 661.43912 268.1
[M+Na-2H]- 683.42107 263.6
[M]+ 662.44585 271.4
[M]- 662.44695 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

literature stripe

Patent stripe

patents stripe