CID 3057172

73972-83-5

Structural Information

Molecular Formula
C25H55O9P3S
SMILES
CCCCOP(=O)(C(P(=O)(OCCCC)OCCCC)SP(=O)(OCCCC)OCCCC)OCCCC
InChI
InChI=1S/C25H55O9P3S/c1-7-13-19-29-35(26,30-20-14-8-2)25(36(27,31-21-15-9-3)32-22-16-10-4)38-37(28,33-23-17-11-5)34-24-18-12-6/h25H,7-24H2,1-6H3
InChIKey
NWQRJMFYUPVOLL-UHFFFAOYSA-N
Compound name
1-[butoxy-[dibutoxyphosphoryl(dibutoxyphosphorylsulfanyl)methyl]phosphoryl]oxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.27795 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.28523 261.2
[M+Na]+ 647.26717 259.8
[M-H]- 623.27067 252.6
[M+NH4]+ 642.31177 269.6
[M+K]+ 663.24111 258.8
[M+H-H2O]+ 607.27521 236.9
[M+HCOO]- 669.27615 274.8
[M+CH3COO]- 683.29180 263.7
[M+Na-2H]- 645.25262 238.2
[M]+ 624.27740 263.4
[M]- 624.27850 263.4
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.