CID 21125074

71002-27-2

Structural Information

Molecular Formula
C29H39O3P
SMILES
C1C2CC(C1C=C2)COP(OCC3CC4CC3C=C4)OCC5CC6CC5C7C6C8CC7C=C8
InChI
InChI=1S/C29H39O3P/c1-3-19-7-17(1)9-24(19)14-30-33(31-15-25-10-18-2-4-20(25)8-18)32-16-26-12-23-13-27(26)29-22-6-5-21(11-22)28(23)29/h1-6,17-29H,7-16H2
InChIKey
NIRGFKHWMBFGPY-UHFFFAOYSA-N
Compound name
bis(2-bicyclo[2.2.1]hept-5-enylmethyl) 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.26367 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.27095 209.1
[M+Na]+ 489.25289 208.8
[M-H]- 465.25639 218.2
[M+NH4]+ 484.29749 234.8
[M+K]+ 505.22683 207.2
[M+H-H2O]+ 449.26093 209.6
[M+HCOO]- 511.26187 225.4
[M+CH3COO]- 525.27752 216.1
[M+Na-2H]- 487.23834 191.5
[M]+ 466.26312 212.9
[M]- 466.26422 212.9
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

No patent data available for this compound.