CID 3048487

63906-92-3

Structural Information

Molecular Formula
C18H42O13P4
SMILES
CCCCOP(=O)(OCCCC)OP(=O)(OCCCC)OP(=O)(OCC)OP(=O)(OCC)OCC
InChI
InChI=1S/C18H42O13P4/c1-7-13-16-26-33(20,27-17-14-8-2)30-35(22,28-18-15-9-3)31-34(21,25-12-6)29-32(19,23-10-4)24-11-5/h7-18H2,1-6H3
InChIKey
OGHLCHLLTSUAJC-UHFFFAOYSA-N
Compound name
[butoxy(dibutoxyphosphoryloxy)phosphoryl] diethoxyphosphoryl ethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.1576 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.16488 260.8
[M+Na]+ 613.14682 259.7
[M-H]- 589.15032 261.7
[M+NH4]+ 608.19142 273.4
[M+K]+ 629.12076 253.9
[M+H-H2O]+ 573.15486 229.6
[M+HCOO]- 635.15580 281.0
[M+CH3COO]- 649.17145 254.4
[M+Na-2H]- 611.13227 237.4
[M]+ 590.15705 265.5
[M]- 590.15815 265.5
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.