CID 91601

31570-04-4

Structural Information

Molecular Formula
C42H63O3P
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(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/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3
InChIKey
JKIJEFPNVSHHEI-UHFFFAOYSA-N
Compound name
tris(2,4-ditert-butylphenyl) phosphite
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

105706
Patents

646.4515 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.45878 262.6
[M+Na]+ 669.44072 264.1
[M-H]- 645.44422 270.0
[M+NH4]+ 664.48532 265.2
[M+K]+ 685.41466 262.8
[M+H-H2O]+ 629.44876 251.0
[M+HCOO]- 691.44970 273.3
[M+CH3COO]- 705.46535 278.4
[M+Na-2H]- 667.42617 260.3
[M]+ 646.45095 271.2
[M]- 646.45205 271.2
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