CID 3043793

Tetraphosphoric acid, hexabutyl ester

Structural Information

Molecular Formula
C24H54O13P4
SMILES
CCCCOP(=O)(OCCCC)OP(=O)(OP(=O)(OCCCC)OCCCC)OP(=O)(OCCCC)OCCCC
InChI
InChI=1S/C24H54O13P4/c1-7-13-19-29-38(25,30-20-14-8-2)35-41(28,36-39(26,31-21-15-9-3)32-22-16-10-4)37-40(27,33-23-17-11-5)34-24-18-12-6/h7-24H2,1-6H3
InChIKey
WVCBJLMPRLYNHA-UHFFFAOYSA-N
Compound name
tris(dibutoxyphosphoryl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.25146 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.25874 282.6
[M+Na]+ 697.24068 280.3
[M-H]- 673.24418 281.1
[M+NH4]+ 692.28528 295.0
[M+K]+ 713.21462 277.0
[M+H-H2O]+ 657.24872 250.6
[M+HCOO]- 719.24966 300.4
[M+CH3COO]- 733.26531 270.3
[M+Na-2H]- 695.22613 256.5
[M]+ 674.25091 287.9
[M]- 674.25201 287.9
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

patents stripe