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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	625.285226	261.2
[M+Na]+	647.267168	259.8
[M-H]-	623.270674	252.6
[M+NH4]+	642.311773	269.6
[M+K]+	663.241108	258.8
[M+H-H2O]+	607.275210	236.9
[M+HCOO]-	669.276151	274.8
[M+CH3COO]-	683.291801	263.7
[M+Na-2H]-	645.252616	238.2
[M]+	624.27740142	263.4
[M]-	624.27849858	263.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.