CID 44151703

71002-29-4

Structural Information

Molecular Formula
C27H33O3P
SMILES
C1C2CC(C1C=C2)COP(OCC3CC4CC3C5C4C6CC5C=C6)OC7=CC=CC=C7
InChI
InChI=1S/C27H33O3P/c1-2-4-24(5-3-1)30-31(28-15-22-11-17-6-7-18(22)10-17)29-16-23-13-21-14-25(23)27-20-9-8-19(12-20)26(21)27/h1-9,17-23,25-27H,10-16H2
InChIKey
HLYGXVJVQMVLCY-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]hept-5-enylmethyl phenyl 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

436.21674 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.22402 198.7
[M+Na]+ 459.20596 203.6
[M+NH4]+ 454.25056 208.9
[M+K]+ 475.17990 208.0
[M-H]- 435.20946 201.4
[M+Na-2H]- 457.19141 195.0
[M]+ 436.21619 199.9
[M]- 436.21729 199.9
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.