CID 3044356

Dibutyl 1-(dibutoxyphosphinyl)butyl phosphite

Structural Information

Molecular Formula
C20H44O7P2
SMILES
CCCCOP(=O)(C(CCC)OP(=O)(OCCCC)OCCCC)OCCCC
InChI
InChI=1S/C20H44O7P2/c1-6-11-16-23-28(21,24-17-12-7-2)20(15-10-5)27-29(22,25-18-13-8-3)26-19-14-9-4/h20H,6-19H2,1-5H3
InChIKey
NJLVCLUAOWACJS-UHFFFAOYSA-N
Compound name
dibutyl 1-dibutoxyphosphorylbutyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25623 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26351 215.8
[M+Na]+ 481.24545 219.4
[M-H]- 457.24895 209.3
[M+NH4]+ 476.29005 222.3
[M+K]+ 497.21939 214.8
[M+H-H2O]+ 441.25349 200.9
[M+HCOO]- 503.25443 232.1
[M+CH3COO]- 517.27008 236.7
[M+Na-2H]- 479.23090 200.3
[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.