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
1
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]+ 441.25533 205.3
[M+Na]+ 463.23727 206.2
[M-H]- 439.24077 212.5
[M+NH4]+ 458.28187 232.7
[M+K]+ 479.21121 204.0
[M+H-H2O]+ 423.24531 206.8
[M+HCOO]- 485.24625 220.2
[M+CH3COO]- 499.26190 212.5
[M+Na-2H]- 461.22272 188.4
[M]+ 440.24750 209.5
[M]- 440.24860 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.