CID 10961369

161717-32-4

Structural Information

Molecular Formula
C27H47O3P
SMILES
CCCCC1(COP(OC1)OC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)CC
InChI
InChI=1S/C27H47O3P/c1-12-14-15-27(13-2)18-28-31(29-19-27)30-23-21(25(6,7)8)16-20(24(3,4)5)17-22(23)26(9,10)11/h16-17H,12-15,18-19H2,1-11H3
InChIKey
HVDJXXVDNDLBQY-UHFFFAOYSA-N
Compound name
5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1287
Patents

450.3263 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.33358 220.6
[M+Na]+ 473.31552 224.1
[M-H]- 449.31902 226.2
[M+NH4]+ 468.36012 230.7
[M+K]+ 489.28946 224.2
[M+H-H2O]+ 433.32356 211.8
[M+HCOO]- 495.32450 235.5
[M+CH3COO]- 509.34015 239.0
[M+Na-2H]- 471.30097 219.8
[M]+ 450.32575 226.9
[M]- 450.32685 226.9
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