CID 73861

Diphosphoric acid, tetrabutyl ester

Structural Information

Molecular Formula
C16H36O7P2
SMILES
CCCCOP(=O)(OCCCC)OP(=O)(OCCCC)OCCCC
InChI
InChI=1S/C16H36O7P2/c1-5-9-13-19-24(17,20-14-10-6-2)23-25(18,21-15-11-7-3)22-16-12-8-4/h5-16H2,1-4H3
InChIKey
BFYHFSGFMZUISQ-UHFFFAOYSA-N
Compound name
dibutyl dibutoxyphosphoryl phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

575
Patents

402.19363 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20091 201.0
[M+Na]+ 425.18285 204.8
[M-H]- 401.18635 194.5
[M+NH4]+ 420.22745 206.0
[M+K]+ 441.15679 198.1
[M+H-H2O]+ 385.19089 186.1
[M+HCOO]- 447.19183 221.3
[M+CH3COO]- 461.20748 224.4
[M+Na-2H]- 423.16830 186.8
[M]+ 402.19308 201.0
[M]- 402.19418 201.0
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.