CID 21136348

Dtxsid00870149

Structural Information

Molecular Formula
C23H39O3P
SMILES
CCCCC1(COP(OC1)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)CC
InChI
InChI=1S/C23H39O3P/c1-9-11-14-23(10-2)16-24-27(25-17-23)26-20-13-12-18(21(3,4)5)15-19(20)22(6,7)8/h12-13,15H,9-11,14,16-17H2,1-8H3
InChIKey
QVMYIRZGAVKTMG-UHFFFAOYSA-N
Compound name
5-butyl-2-(2,4-ditert-butylphenoxy)-5-ethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

394.26367 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.27095 205.9
[M+Na]+ 417.25289 209.7
[M-H]- 393.25639 211.5
[M+NH4]+ 412.29749 217.7
[M+K]+ 433.22683 209.7
[M+H-H2O]+ 377.26093 196.7
[M+HCOO]- 439.26187 223.6
[M+CH3COO]- 453.27752 226.0
[M+Na-2H]- 415.23834 205.6
[M]+ 394.26312 210.9
[M]- 394.26422 210.9
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