CID 116689

70766-50-6

Structural Information

Molecular Formula
C27H37O3P
SMILES
COP(OCC1CC2CC1C3C2C4CC3C=C4)OCC5CC6CC5C7C6C8CC7C=C8
InChI
InChI=1S/C27H37O3P/c1-28-31(29-12-20-8-18-10-22(20)26-16-4-2-14(6-16)24(18)26)30-13-21-9-19-11-23(21)27-17-5-3-15(7-17)25(19)27/h2-5,14-27H,6-13H2,1H3
InChIKey
UEMDWNLDOFKCLT-UHFFFAOYSA-N
Compound name
methyl bis(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl) phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

440.24805 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.255326 205.3
[M+Na]+ 463.237268 206.2
[M-H]- 439.240774 212.5
[M+NH4]+ 458.281873 232.7
[M+K]+ 479.211208 204.0
[M+H-H2O]+ 423.245310 206.8
[M+HCOO]- 485.246251 220.2
[M+CH3COO]- 499.261901 212.5
[M+Na-2H]- 461.222716 188.4
[M]+ 440.24750142 209.5
[M]- 440.24859858 209.5
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.