CID 3048368

Tetrabutyl hexamethylenephosphonate

Structural Information

Molecular Formula
C22H48O6P2
SMILES
CCCCOP(=O)(CCCCCCP(=O)(OCCCC)OCCCC)OCCCC
InChI
InChI=1S/C22H48O6P2/c1-5-9-17-25-29(23,26-18-10-6-2)21-15-13-14-16-22-30(24,27-19-11-7-3)28-20-12-8-4/h5-22H2,1-4H3
InChIKey
MDNGKOYOXHQHJT-UHFFFAOYSA-N
Compound name
1,6-bis(dibutoxyphosphoryl)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

470.2926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.29988 217.7
[M+Na]+ 493.28182 223.2
[M+NH4]+ 488.32642 225.6
[M+K]+ 509.25576 220.0
[M-H]- 469.28532 208.8
[M+Na-2H]- 491.26727 223.6
[M]+ 470.29205 218.3
[M]- 470.29315 218.3
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

patents stripe