CID 248442

Trioctadecyl phosphite

Structural Information

Molecular Formula
C54H111O3P
SMILES
CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChIKey
CNUJLMSKURPSHE-UHFFFAOYSA-N
Compound name
trioctadecyl phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20877
Patents

838.8271 Da
Monoisotopic Mass

26.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 839.83438 323.1
[M+Na]+ 861.81632 322.9
[M-H]- 837.81982 295.0
[M+NH4]+ 856.86092 321.8
[M+K]+ 877.79026 331.5
[M+H-H2O]+ 821.82436 313.8
[M+HCOO]- 883.82530 323.0
[M+CH3COO]- 897.84095 316.0
[M+Na-2H]- 859.80177 295.6
[M]+ 838.82655 321.0
[M]- 838.82765 321.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe