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 219.6
[M+Na]+ 493.28182 222.8
[M-H]- 469.28532 210.0
[M+NH4]+ 488.32642 223.6
[M+K]+ 509.25576 218.6
[M+H-H2O]+ 453.28986 203.7
[M+HCOO]- 515.29080 237.5
[M+CH3COO]- 529.30645 239.9
[M+Na-2H]- 491.26727 203.0
[M]+ 470.29205 219.0
[M]- 470.29315 219.0
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