CID 78952

126-63-6

Structural Information

Molecular Formula
C24H51O3P
SMILES
CCCCC(CC)COP(=O)(CC(CC)CCCC)OCC(CC)CCCC
InChI
InChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-26-28(25,21-24(12-6)18-15-9-3)27-20-23(11-5)17-14-8-2/h22-24H,7-21H2,1-6H3
InChIKey
GOCVCBDBQYEFQD-UHFFFAOYSA-N
Compound name
3-[[2-ethylhexoxy(2-ethylhexyl)phosphoryl]oxymethyl]heptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

670
Patents

418.35757 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.36485 213.1
[M+Na]+ 441.34679 219.8
[M-H]- 417.35029 203.2
[M+NH4]+ 436.39139 217.6
[M+K]+ 457.32073 217.9
[M+H-H2O]+ 401.35483 213.9
[M+HCOO]- 463.35577 221.5
[M+CH3COO]- 477.37142 235.6
[M+Na-2H]- 439.33224 200.9
[M]+ 418.35702 213.5
[M]- 418.35812 213.5
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

patents stripe