CID 3057424

Dibutyl (1-(dibutoxyphosphinyl)-2-methyl)propyl phosphate

Structural Information

Molecular Formula
C20H44O7P2
SMILES
CCCCOP(=O)(C(C(C)C)OP(=O)(OCCCC)OCCCC)OCCCC
InChI
InChI=1S/C20H44O7P2/c1-7-11-15-23-28(21,24-16-12-8-2)20(19(5)6)27-29(22,25-17-13-9-3)26-18-14-10-4/h19-20H,7-18H2,1-6H3
InChIKey
DZGVHMRYCFEBBS-UHFFFAOYSA-N
Compound name
dibutyl (1-dibutoxyphosphoryl-2-methylpropyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25623 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26351 215.5
[M+Na]+ 481.24545 219.6
[M-H]- 457.24895 210.5
[M+NH4]+ 476.29005 223.5
[M+K]+ 497.21939 215.5
[M+H-H2O]+ 441.25349 201.2
[M+HCOO]- 503.25443 229.5
[M+CH3COO]- 517.27008 237.3
[M+Na-2H]- 479.23090 200.6
[M]+ 458.25568 215.8
[M]- 458.25678 215.8
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

No patent data available for this compound.