CID 88863

Di-dhph

Structural Information

Molecular Formula
C24H51O3P
SMILES
CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC
InChI
InChI=1S/C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-24H2,1-2H3
InChIKey
KQWYQZYVKPPMBX-UHFFFAOYSA-N
Compound name
1-dodecoxyphosphonoyloxydodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

418.35757 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.36485 222.2
[M+Na]+ 441.34679 224.7
[M-H]- 417.35029 203.2
[M+NH4]+ 436.39139 218.6
[M+K]+ 457.32073 217.5
[M+H-H2O]+ 401.35483 211.4
[M+HCOO]- 463.35577 230.8
[M+CH3COO]- 477.37142 233.8
[M+Na-2H]- 439.33224 214.5
[M]+ 418.35702 217.5
[M]- 418.35812 217.5
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

No patent data available for this compound.