CID 175684629

3-(2,4-di-tert-butylphenoxy)-9-hydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide

Structural Information

Molecular Formula
C19H30O8P2
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP2(=O)OCC3(COP(=O)(OC3)O)CO2)C(C)(C)C
InChI
InChI=1S/C19H30O8P2/c1-17(2,3)14-7-8-16(15(9-14)18(4,5)6)27-29(22)25-12-19(13-26-29)10-23-28(20,21)24-11-19/h7-9H,10-13H2,1-6H3,(H,20,21)
InChIKey
ACMPIZDUJBUHTP-UHFFFAOYSA-N
Compound name
3-(2,4-ditert-butylphenoxy)-9-hydroxy-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1416 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14888 205.1
[M+Na]+ 471.13082 210.2
[M-H]- 447.13432 212.0
[M+NH4]+ 466.17542 215.0
[M+K]+ 487.10476 215.8
[M+H-H2O]+ 431.13886 194.8
[M+HCOO]- 493.13980 223.6
[M+CH3COO]- 507.15545 226.7
[M+Na-2H]- 469.11627 210.4
[M]+ 448.14105 209.3
[M]- 448.14215 209.3
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

No patent data available for this compound.